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

Systemtic Name: [(2S)-2-methyl-1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl] N-(pyridin-4-ylmethyl)carbamate Openeye Name: [(1S)-1-benzyl-2-(isopentylamino)-1-methyl-2-oxo-ethyl] N-(4-pyridylmethyl)carbamate CAS Name: N-(pyridin-4-ylmethyl)carbamic acid [(2S)-2-methyl-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl] ester IUPAC Name: [(2S)-2-methyl-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl] N-(pyridin-4-ylmethyl)carbamate Traditional Name: N-(4-pyridylmethyl)carbamic acid [(1S)-1-benzyl-2-(isoamylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-17(2)9-14-24-20(26)22(3,15-18-7-5-4-6-8-18)28-21(27)25-16-19-10-12-23-13-11-19/h4-8,10-13,17H,9,14-16H2,1-3H3,(H,24,26)(H,25,27)/t22-/m0/s1