methyl (2R,3S)-3-(1H-indol-2-ylcarbonylamino)-2-oxidanyl-4-phenyl-butanoate

Systemtic Name: methyl (2R,3S)-3-(1H-indol-2-ylcarbonylamino)-2-oxidanyl-4-phenyl-butanoate Openeye Name: methyl (2R,3S)-2-hydroxy-3-(1H-indole-2-carbonylamino)-4-phenyl-butanoate CAS Name: (2R,3S)-2-hydroxy-3-[[1H-indol-2-yl(oxo)methyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-hydroxy-3-(1H-indole-2-carbonylamino)-4-phenylbutanoate Traditional Name: (2R,3S)-2-hydroxy-3-(1H-indole-2-carbonylamino)-4-phenyl-butyric acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2)O

Isomeric SMILES

COC(=O)[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2)O

InChI

InChI=1S/C20H20N2O4/c1-26-20(25)18(23)16(11-13-7-3-2-4-8-13)22-19(24)17-12-14-9-5-6-10-15(14)21-17/h2-10,12,16,18,21,23H,11H2,1H3,(H,22,24)/t16-,18+/m0/s1