methyl (2S)-3-(1H-indol-3-yl)-2-[[(2R)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[(2R)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[(2R)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-mercapto-1-oxo-3-phenylpropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[(2R)-3-phenyl-2-sulfanylpropanoyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-mercapto-3-phenyl-propanoyl]amino]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)C(CC3=CC=CC=C3)S

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H](CC3=CC=CC=C3)S

InChI

InChI=1S/C21H22N2O3S/c1-26-21(25)18(12-15-13-22-17-10-6-5-9-16(15)17)23-20(24)19(27)11-14-7-3-2-4-8-14/h2-10,13,18-19,22,27H,11-12H2,1H3,(H,23,24)/t18-,19+/m0/s1