tert-butyl N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-oxo-3-phenyl-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(4-benzyl-1,4-diazepan-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O3/c1-26(2,3)32-25(31)27-23(19-21-11-6-4-7-12-21)24(30)29-16-10-15-28(17-18-29)20-22-13-8-5-9-14-22/h4-9,11-14,23H,10,15-20H2,1-3H3,(H,27,31)/t23-/m0/s1