(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-(3H-imidazol-4-yl)ethyl]carbamoylmethylcarbamoyl]-2-methyl-propyl]carbamoyl]ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]propanoic acid
Molecular Formula:
C51H70N12O12
InChI: InChI=1/C51H70N12O12/c1-26(2)17-36(46(69)57-29(7)44(67)62-42(27(3)4)49(72)55-24-40(64)58-39(51(74)75)20-32-23-53-25-56-32)59-47(70)37(19-31-22-54-35-16-12-11-15-33(31)35)60-48(71)38(21-41(65)66)61-50(73)43(28(5)6)63-45(68)34(52)18-30-13-9-8-10-14-30/h8-16,22-23,25-29,34,36-39,42-43,54H,17-21,24,52H2,1-7H3,(H,53,56)(H,55,72)(H,57,69)(H,58,64)(H,59,70)(H,60,71)(H,61,73)(H,62,67)(H,63,68)(H,65,66)(H,74,75)/t29-,34-,36-,37-,38-,39-,42-,43-/m0/s1/f/h55-63,65,74H
InChIKey: InChIKey=CTZLUKHYRLMUHO-PFVKVQJODI
SMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC4=CC=CC=C4)N
Names:
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-(3H-imidazol-4-yl)ethyl]carbamoylmethylcarbamoyl]-2-methyl-propyl]carbamoyl]ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]propanoic acid
Registries:
PubChem CID 10235235
PubChem ID 15236106
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