Mrv0541 02231218532D 56 59 0 0 1 0 999 V2000 15.3577 -8.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4751 -7.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0722 -11.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9301 -12.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4204 -5.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8620 -7.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6445 -13.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5011 -17.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7867 -8.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7867 -10.5306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4313 -6.7011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5011 -12.5930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8896 -10.4537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9301 -14.2431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7500 -9.1261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3590 -15.0681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8730 -8.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6798 -7.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0922 -8.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5403 -9.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0722 -9.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0722 -10.1181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2597 -7.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3577 -10.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5011 -11.7681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2155 -11.3556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7867 -11.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8182 -6.1491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2155 -10.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6432 -10.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9301 -11.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9897 -5.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2155 -13.8307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2155 -13.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9301 -10.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0335 -6.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5569 -9.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5011 -14.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3766 -4.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3374 -9.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3590 -14.2431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6445 -13.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0735 -13.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5011 -15.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5482 -3.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5920 -5.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7880 -14.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0735 -13.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2155 -15.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7867 -15.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9350 -3.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9789 -4.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1504 -3.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2155 -16.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7867 -16.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5011 -16.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 23 2 0 0 0 0 3 27 2 0 0 0 0 4 34 2 0 0 0 0 5 36 1 0 0 0 0 6 36 2 0 0 0 0 7 42 2 0 0 0 0 8 56 1 0 0 0 0 9 17 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 22 10 1 1 0 0 0 10 27 1 0 0 0 0 11 23 1 0 0 0 0 28 11 1 6 0 0 0 25 12 1 6 0 0 0 12 34 1 0 0 0 0 13 30 1 0 0 0 0 13 40 1 0 0 0 0 33 14 1 1 0 0 0 14 42 1 0 0 0 0 15 37 1 0 0 0 0 15 40 2 0 0 0 0 41 16 1 6 0 0 0 17 18 1 0 0 0 0 17 23 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 6 0 0 0 28 32 1 0 0 0 0 28 36 1 0 0 0 0 29 35 1 0 0 0 0 30 37 2 0 0 0 0 32 39 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 38 44 1 0 0 0 0 39 45 2 0 0 0 0 39 46 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 2 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 2 0 0 0 0 49 54 1 0 0 0 0 50 55 2 0 0 0 0 51 53 2 0 0 0 0 52 53 1 0 0 0 0 54 56 2 0 0 0 0 55 56 1 0 0 0 0 M END > BMDB0001038 > bmdb > CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)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/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1 > QSBGWDDCOJYQGY-KOQODJNWSA-N > C40H54N8O8 > 774.9056 > 774.406460744 > 10 > 81.13193807505662 > 0 > 8 > 0 > 0 > (2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid > -0.02 > -0.6921219201329083 > -4.71 > 1 > 4 > 1 > 9.52384351018906 > 3.5964944947655932 > 8.206121079719193 > 248.94000000000003 > 206.04619999999994 > 19 > 0 > 1.53e-02 g/l > (2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid > 0 > BMDB0001038 > Angiotensin IV > (3-8)-5-Isoleucine-angiotensin II; (Des(Asp1,Arg2)-Ile5)angiotensin II; (Ile5)-angiotensin II (3-8); (Isoleucine5)-angiotensin II hexapeptide; 1-De-asp-2-de-arg-5-ile-angiotensin II; 3-L-isoleucine-Angiotensin IV; 5-Isoleucine-angiotensin II 3-8-hexapeptide; Huamn angiotensin (3-8); Human angiotensin hexapeptide (3-8); Human angiotensin iv; Ile3-angiotensin IV; Nle-angiv; Val-TYR-ile-his-pro-phe $$$$