methyl N-[[(2S)-2-azanyl-3,3-dimethyl-butanoyl]-[(4-pyridin-2-ylphenyl)methyl]amino]carbamate

Systemtic Name: methyl N-[[(2S)-2-azanyl-3,3-dimethyl-butanoyl]-[(4-pyridin-2-ylphenyl)methyl]amino]carbamate Openeye Name: methyl N-[[(2S)-2-amino-3,3-dimethyl-butanoyl]-[[4-(2-pyridyl)phenyl]methyl]amino]carbamate CAS Name: N-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]-[[4-(2-pyridinyl)phenyl]methyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[(2S)-2-amino-3,3-dimethylbutanoyl]-[(4-pyridin-2-ylphenyl)methyl]amino]carbamate Traditional Name: N-[[(2S)-2-amino-3,3-dimethyl-butanoyl]-[4-(2-pyridyl)benzyl]amino]carbamic acid methyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N(CC1=CC=C(C=C1)C2=CC=CC=N2)NC(=O)OC)N

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N(CC1=CC=C(C=C1)C2=CC=CC=N2)NC(=O)OC)N

InChI

InChI=1S/C20H26N4O3/c1-20(2,3)17(21)18(25)24(23-19(26)27-4)13-14-8-10-15(11-9-14)16-7-5-6-12-22-16/h5-12,17H,13,21H2,1-4H3,(H,23,26)/t17-/m1/s1