(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-keto-butyric acid Formula: C35H45N5O9S MolecularWeight: 711.8249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C35H45N5O9S/c1-35(2,3)49-34(47)40-26(18-22-20-36-24-14-10-9-13-23(22)24)31(44)37-25(15-16-50-5)30(43)38-27(19-29(41)42)32(45)39-28(33(46)48-4)17-21-11-7-6-8-12-21/h6-14,20,25-28,36H,15-19H2,1-5H3,(H,37,44)(H,38,43)(H,39,45)(H,40,47)(H,41,42)/t25-,26-,27-,28-/m0/s1