methyl 3-[[(2S)-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate

Systemtic Name: methyl 3-[[(2S)-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate Openeye Name: methyl 3-[[(2S)-5-amino-2-(benzyloxycarbonylamino)-5-oxo-pentanoyl]amino]benzoate CAS Name: 3-[[(2S)-5-amino-1,5-dioxo-2-(phenylmethoxycarbonylamino)pentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate Traditional Name: 3-[[(2S)-5-amino-2-(benzyloxycarbonylamino)-5-keto-pentanoyl]amino]benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)[C@H](CCC(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c1-29-20(27)15-8-5-9-16(12-15)23-19(26)17(10-11-18(22)25)24-21(28)30-13-14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3,(H2,22,25)(H,23,26)(H,24,28)/t17-/m0/s1