(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[3-(2-oxidanylideneazepan-1-yl)propylamino]-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[3-(2-oxidanylideneazepan-1-yl)propylamino]-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]carbamate CAS Name: N-[(2S)-1-oxo-1-[3-(2-oxo-1-azepanyl)propylamino]-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-oxo-1-[3-(2-oxoazepan-1-yl)propylamino]-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[3-(2-ketoazepan-1-yl)propylamino]ethyl]carbamic acid benzyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O4/c30-24-15-8-3-9-17-29(24)18-10-16-27-25(31)23(19-21-11-4-1-5-12-21)28-26(32)33-20-22-13-6-2-7-14-22/h1-2,4-7,11-14,23H,3,8-10,15-20H2,(H,27,31)(H,28,32)/t23-/m0/s1