tert-butyl N-methyl-N-[(2S)-3-[(3-methylphenyl)methylamino]-2-(phenylmethoxycarbonylamino)propyl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[(2S)-3-[(3-methylphenyl)methylamino]-2-(phenylmethoxycarbonylamino)propyl]carbamate Openeye Name: tert-butyl N-[(2S)-2-(benzyloxycarbonylamino)-3-(m-tolylmethylamino)propyl]-N-methyl-carbamate CAS Name: N-methyl-N-[(2S)-3-[(3-methylphenyl)methylamino]-2-(phenylmethoxycarbonylamino)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[(2S)-3-[(3-methylphenyl)methylamino]-2-(phenylmethoxycarbonylamino)propyl]carbamate Traditional Name: N-[(2S)-2-(benzyloxycarbonylamino)-3-[(3-methylbenzyl)amino]propyl]-N-methyl-carbamic acid tert-butyl ester Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNCC(CN(C)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)CNC[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H35N3O4/c1-19-10-9-13-21(14-19)15-26-16-22(17-28(5)24(30)32-25(2,3)4)27-23(29)31-18-20-11-7-6-8-12-20/h6-14,22,26H,15-18H2,1-5H3,(H,27,29)/t22-/m0/s1