tert-butyl N-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]-3-pyridin-4-yl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]-3-pyridin-4-yl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(benzylamino)-2-oxo-1-(4-pyridylmethyl)ethyl]carbamate CAS Name: N-[(2S)-1-oxo-1-[(phenylmethyl)amino]-3-pyridin-4-ylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(benzylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(benzylamino)-2-keto-1-(4-pyridylmethyl)ethyl]carbamic acid tert-butyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=NC=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O3/c1-20(2,3)26-19(25)23-17(13-15-9-11-21-12-10-15)18(24)22-14-16-7-5-4-6-8-16/h4-12,17H,13-14H2,1-3H3,(H,22,24)(H,23,25)/t17-/m0/s1