methyl 5-[[(2S)-4-methoxy-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[[(2S)-4-methoxy-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-oxidanyl-benzoate Openeye Name: methyl 5-[[(2S)-2-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butanoyl]amino]-2-hydroxy-benzoate CAS Name: 2-hydroxy-5-[[(2S)-4-methoxy-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[[(2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]benzoate Traditional Name: 5-[[(2S)-2-(benzyloxycarbonylamino)-4-keto-4-methoxy-butanoyl]amino]-2-hydroxy-benzoic acid methyl ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@@H](C(=O)NC1=CC(=C(C=C1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O8/c1-29-18(25)11-16(23-21(28)31-12-13-6-4-3-5-7-13)19(26)22-14-8-9-17(24)15(10-14)20(27)30-2/h3-10,16,24H,11-12H2,1-2H3,(H,22,26)(H,23,28)/t16-/m0/s1