methyl (2S)-4-methylsulfanyl-2-[[1-(phenylmethyl)indol-2-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[1-(phenylmethyl)indol-2-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-2-[(1-benzylindole-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[1-(phenylmethyl)-2-indolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzylindole-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1-benzylindole-2-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=CC=CC=C2N1CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC2=CC=CC=C2N1CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c1-27-22(26)18(12-13-28-2)23-21(25)20-14-17-10-6-7-11-19(17)24(20)15-16-8-4-3-5-9-16/h3-11,14,18H,12-13,15H2,1-2H3,(H,23,25)/t18-/m0/s1