(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-[[(1S)-1-(carboxymethylcarbamoyl)-2-phenyl-ethyl]carbamoyl]propanoic acid
Molecular Formula:
C42H50N8O11S
InChI: InChI=1/C42H50N8O11S/c1-62-16-15-31(40(59)50-34(20-36(53)54)42(61)49-32(39(58)46-23-37(55)56)18-24-7-3-2-4-8-24)48-41(60)33(19-26-21-44-30-10-6-5-9-28(26)30)47-35(52)22-45-38(57)29(43)17-25-11-13-27(51)14-12-25/h2-14,21,29,31-34,44,51H,15-20,22-23,43H2,1H3,(H,45,57)(H,46,58)(H,47,52)(H,48,60)(H,49,61)(H,50,59)(H,53,54)(H,55,56)/t29-,31-,32-,33-,34-/m0/s1/f/h45-50,53,55H
InChIKey: InChIKey=WXKCQBMBMPDJRA-YZEUMGMKDK
SMILES: CSCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)N
Names:
(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-[[(1S)-1-(carboxymethylcarbamoyl)-2-phenyl-ethyl]carbamoyl]propanoic acid
Registries:
PubChem CID 130039
PubChem ID 10242506
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