methyl (2S)-3-(1H-indol-3-yl)-2-[2-(phenylmethylsulfanyl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[2-(phenylmethylsulfanyl)ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[(2-benzylsulfanylacetyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-benzylsulfanylacetyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-(benzylthio)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-26-21(25)19(11-16-12-22-18-10-6-5-9-17(16)18)23-20(24)14-27-13-15-7-3-2-4-8-15/h2-10,12,19,22H,11,13-14H2,1H3,(H,23,24)/t19-/m0/s1