pyridin-4-ylmethyl N-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: pyridin-4-ylmethyl N-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: 4-pyridylmethyl N-[(1S)-1-benzyl-2-(isopentylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-(isoamylamino)-2-keto-ethyl]carbamic acid 4-pyridylmethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=NC=C2

Isomeric SMILES

CC(C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=NC=C2

InChI

InChI=1S/C21H27N3O3/c1-16(2)8-13-23-20(25)19(14-17-6-4-3-5-7-17)24-21(26)27-15-18-9-11-22-12-10-18/h3-7,9-12,16,19H,8,13-15H2,1-2H3,(H,23,25)(H,24,26)/t19-/m0/s1