1.0 2016-09-30 22:40:11 UTC 2020-04-22 15:06:25 UTC BMDB0001035 BMDB01035 Angiotensin II 5-Isoleucine-angiotensin II 5-L-Isoleucineangiotensin II Angiotensin Angiotensin II (human) Angiotensin II (mouse) Angiotonin Asp-arg-val-tyr-ile-his-pro-phe Human angiotensin II Hypertensin Isoleucine(5)-angiotensin II N-(1-(N-(N-(N-(N-(N(2)-L-alpha-Aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-L-phenylalanine Delivert N-(1-(N-(N-(N-(N-(N(2)-L-a-Aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-L-phenylalanine N-(1-(N-(N-(N-(N-(N(2)-L-Α-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-L-phenylalanine 1-8-Angiotensin I 1-L-Aspasaginyl-5-L-valyl angiotensin octapeptide Ang II Angiotensin 2 Ile(5)-angiotensin II II, 5-L-isoleucine angiotensin Isoleucyl(5)-angiotensin II Angiotensin II, 5-L-isoleucine Valyl(5)-angiotensin II ANG-(1-8)octapeptide Isoleucine(5)-angiotensin 5 L Isoleucine angiotensin II 5-L-Isoleucine angiotensin II Angiotensin-(1-8) octapeptide C50H71N13O12 1046.1786 1045.534514801 (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid 11128-99-7 CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1 CZGUSIXMZVURDU-JZXHSEFVSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Aspartic acid and derivatives Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Dicarboxylic acids and derivatives Guanidines Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Isoleucine and derivatives Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Proline and derivatives Propargyl-type 1,3-dipolar organic compounds Pyrrolidinecarboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides Tyrosine and derivatives Valine and derivatives 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic heteromonocyclic compound Aspartic acid or derivatives Azacycle Azole Benzenoid Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Dicarboxylic acid or derivatives Fatty acyl Fatty amide Guanidine Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Isoleucine or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid N-acylpyrrolidine N-substituted-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Proline or derivatives Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary carboxylic acid amide Tertiary carboxylic acid amide Tyrosine or derivatives Valine or derivatives Aromatic heteromonocyclic compounds Angiotensin [KO:K09821] angiotensin II Solid logp -0.87 ALOGPS logs -4.83 ALOGPS logp -5.3 ChemAxon pka_strongest_acidic 3.15 ChemAxon pka_strongest_basic 10.83 ChemAxon iupac (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid ChemAxon average_mass 1046.1786 ChemAxon mono_mass 1045.534514801 ChemAxon smiles CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O ChemAxon formula C50H71N13O12 ChemAxon inchi InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1 ChemAxon inchikey CZGUSIXMZVURDU-JZXHSEFVSA-N ChemAxon polar_surface_area 408.84 ChemAxon refractivity 269.81 ChemAxon polarizability 107.02 ChemAxon rotatable_bond_count 29 ChemAxon acceptor_count 17 ChemAxon donor_count 13 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Angiotensin Metabolism SMP0119379 Specdb::MsMs 106899 Specdb::MsMs 106900 Specdb::MsMs 106901 Specdb::MsMs 173748 Specdb::MsMs 173749 Specdb::MsMs 173750 Specdb::MsMs 2352184 Specdb::MsMs 2352185 Specdb::MsMs 2352186 Specdb::MsMs 2583128 Specdb::MsMs 2583129 Specdb::MsMs 2583130 Specdb::NmrOneD 146150 Specdb::NmrOneD 146151 Specdb::NmrOneD 146152 Specdb::NmrOneD 146153 Specdb::NmrOneD 146154 Specdb::NmrOneD 146155 Specdb::NmrOneD 146156 Specdb::NmrOneD 146157 Specdb::NmrOneD 146158 Specdb::NmrOneD 146159 Specdb::NmrOneD 146160 Specdb::NmrOneD 146161 Specdb::NmrOneD 146162 Specdb::NmrOneD 146163 Specdb::NmrOneD 146164 Specdb::NmrOneD 146165 Specdb::NmrOneD 146166 Specdb::NmrOneD 146167 Specdb::NmrOneD 146168 Specdb::NmrOneD 146169 FDB022383 C02135 172198 150504 DB11842 2719 Angiotensin BMDBP01005 Angiotensin-converting enzyme P12820 ACE Enzyme BMDBP01006 Protein tyrosine phosphatase type IVA 3 A2VDT1 PTP4A3 Enzyme BMDBP02251 Type-1 angiotensin II receptor P25104 AGTR1 Enzyme BMDBP02252 Angiotensin II receptor-associated protein Q17QI4 AGTRAP Enzyme