Catalog Number:
AG01EASA
Chemical Name:
Angiotensin ii antipeptide
CAS Number:
121379-63-3
Molecular Formula:
C42H62N10O12
Molecular Weight:
899.0015
MDL Number:
MFCD00133093
IUPAC Name:
(4S)-4-amino-5-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-methylpropyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C42H62N10O12/c1-21(2)33(49-31(54)19-45-36(57)27(43)13-14-32(55)56)39(60)47-28(16-24-9-11-26(53)12-10-24)37(58)50-34(22(3)4)40(61)48-29(17-25-18-44-20-46-25)41(62)52-15-7-8-30(52)38(59)51-35(23(5)6)42(63)64/h9-12,18,20-23,27-30,33-35,53H,7-8,13-17,19,43H2,1-6H3,(H,44,46)(H,45,57)(H,47,60)(H,48,61)(H,49,54)(H,50,58)(H,51,59)(H,55,56)(H,63,64)/t27-,28-,29-,30-,33-,34-,35-/m0/s1
InChI Key:
JXABETWMMHYVGQ-VVTGJMFJSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C)Cc1nc[nH]c1)C(C)C)Cc1ccc(cc1)O)C(C)C)CNC(=O)[C@H](CCC(=O)O)N
