angiotensin I

Chemical Formula:

C₆₂H₈₉N₁₇O₁₄

Molecular Weight:

1296.491 Daltons

Monoisotopic Mass:

1297.6931407189002 Daltons

SMILES:

CCC(C)C(C(NC(CC1(=CN=CN1))C(N4(CCCC(C(NC(C(NC(CC2(=CNC=N2))C(NC(CC(C)C)C([O-])=O)=O)=O)CC3(C=CC=CC=3))=O)4))=O)=O)NC(C(CC5(C=CC(=CC=5)O))NC(C(C(C)C)NC(C(CCCNC(=[N+])N)NC(C(CC(=O)[O-])[N+])=O)=O)=O)=O

InChI:

1S/C62H89N17O14/c1-7-35(6)51(78-56(87)44(25-37-17-19-40(80)20-18-37)74-58(89)50(34(4)5)77-53(84)42(15-11-21-68-62(64)65)71-52(83)41(63)28-49(81)82)59(90)75-46(27-39-30-67-32-70-39)60(91)79-22-12-16-48(79)57(88)73-43(24-36-13-9-8-10-14-36)54(85)72-45(26-38-29-66-31-69-38)55(86)76-47(61(92)93)23-33(2)3/h8-10,13-14,17-20,29-35,41-48,50-51,80H,7,11-12,15-16,21-28,63H2,1-6H3,(H,66,69)(H,67,70)(H,71,83)(H,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,84)(H,78,87)(H,81,82)(H,92,93)(H4,64,65,68)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-/m0/s1

InChIKey:

ORWYRWWVDCYOMK-HBZPZAIKSA-N

Synonyms

Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu

Databases

MetaCyc: CPD-13004

PubChem (CID): 90657349

HMDB: HMDB61196

KEGG: C00873

Seed: cpd00648

MetaNetX: MNXM10710

ChEBI: 2718