(phenylmethyl) 4-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-oxidanylidene-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-5-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-oxo-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-oxo-1,4-diazepane-1-carboxylate Traditional Name: 4-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-5-keto-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CC2=CC=CC=C2)C(=O)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)C(=O)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c23-21(27)19(15-17-7-3-1-4-8-17)25-14-13-24(12-11-20(25)26)22(28)29-16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,23,27)/t19-/m0/s1