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

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-(2-phenylpropanoylamino)propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-(2-phenylpropanoylamino)propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[(1-oxo-2-phenylpropyl)amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-(2-phenylpropanoylamino)propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-2-(hydratropoylamino)-3-hydroxy-propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)NC(CO)C(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O5/c1-19(21-11-6-3-7-12-21)23(30)26-22(17-29)24(31)27-13-8-14-28(16-15-27)25(32)33-18-20-9-4-2-5-10-20/h2-7,9-12,19,22,29H,8,13-18H2,1H3,(H,26,30)/t19?,22-/m0/s1