(phenylmethyl) (2S)-2-[(2-acetyloxyphenyl)carbonylamino]-5-azanyl-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-acetyloxyphenyl)carbonylamino]-5-azanyl-5-oxidanylidene-pentanoate Openeye Name: benzyl (2S)-2-[(2-acetoxybenzoyl)amino]-5-amino-5-oxo-pentanoate CAS Name: (2S)-2-[[(2-acetyloxyphenyl)-oxomethyl]amino]-5-amino-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-acetyloxybenzoyl)amino]-5-amino-5-oxopentanoate Traditional Name: (2S)-2-[(2-acetoxybenzoyl)amino]-5-amino-5-keto-valeric acid benzyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NC(CCC(=O)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N[C@@H](CCC(=O)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c1-14(24)29-18-10-6-5-9-16(18)20(26)23-17(11-12-19(22)25)21(27)28-13-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3,(H2,22,25)(H,23,26)/t17-/m0/s1