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

Systemtic Name: (phenylmethyl) 4-[(2S)-2-(2,2-diphenylethanoylamino)-3-oxidanyl-propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-2-[(2,2-diphenylacetyl)amino]-3-hydroxy-propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[(1-oxo-2,2-diphenylethyl)amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-2-[(2,2-diphenylacetyl)amino]-3-hydroxypropanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-2-[(2,2-diphenylacetyl)amino]-3-hydroxy-propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C30H33N3O5 MolecularWeight: 515.60012

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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)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H33N3O5/c34-21-26(31-28(35)27(24-13-6-2-7-14-24)25-15-8-3-9-16-25)29(36)32-17-10-18-33(20-19-32)30(37)38-22-23-11-4-1-5-12-23/h1-9,11-16,26-27,34H,10,17-22H2,(H,31,35)/t26-/m0/s1