angiotensin II
Chemical Formula:
C50H71N13O12
Molecular Weight:
1046.191 Daltons
Monoisotopic Mass:
1047.5501648761 Daltons
SMILES:
CCC(C)C(C(NC(CC1(=CN=CN1))C(N3(CCCC(C(NC(C([O-])=O)CC2(C=CC=CC=2))=O)3))=O)=O)NC(C(CC4(C=CC(=CC=4)O))NC(C(C(C)C)NC(C(CCCNC(=[N+])N)NC(C(CC(=O)[O-])[N+])=O)=O)=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
InChIKey:
Databases
MetaCyc:
CPD-12082
ChemSpider:
23776
Seed:
cpd01445
HMDB:
HMDB01035
MetaNetX:
MNXM3036
KEGG:
C02135