(phenylmethyl) 4-[(2S)-3-oxidanyl-2-(2-phenylethanoylamino)propanoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-(2-phenylethanoylamino)propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-[(2-phenylacetyl)amino]propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-[(2-phenylacetyl)amino]propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-3-hydroxy-2-[(2-phenylacetyl)amino]propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CO)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O5/c28-17-21(25-22(29)16-19-8-3-1-4-9-19)23(30)26-12-7-13-27(15-14-26)24(31)32-18-20-10-5-2-6-11-20/h1-6,8-11,21,28H,7,12-18H2,(H,25,29)/t21-/m0/s1