methyl (2R,3S)-2-oxidanyl-4-phenyl-3-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanoate

Systemtic Name: methyl (2R,3S)-2-oxidanyl-4-phenyl-3-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanoate Openeye Name: methyl (2R,3S)-3-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-hydroxy-4-phenyl-butanoate CAS Name: (2R,3S)-2-hydroxy-3-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-hydroxy-4-phenyl-3-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate Traditional Name: (2R,3S)-3-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-hydroxy-4-phenyl-butyric acid methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CC1=CC=CC=C1)NC(=O)CNC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H24N2O6/c1-28-20(26)19(25)17(12-15-8-4-2-5-9-15)23-18(24)13-22-21(27)29-14-16-10-6-3-7-11-16/h2-11,17,19,25H,12-14H2,1H3,(H,22,27)(H,23,24)/t17-,19+/m0/s1