methyl (2S)-2-[(2-benzamido-2-pyridin-2-ylsulfanyl-ethanoyl)amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(2-benzamido-2-pyridin-2-ylsulfanyl-ethanoyl)amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-benzamido-2-(2-pyridylsulfanyl)acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-benzamido-1-oxo-2-(2-pyridinylthio)ethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-benzamido-2-pyridin-2-ylsulfanylacetyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-benzamido-2-(2-pyridylthio)acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(NC(=O)C1=CC=CC=C1)SC2=CC=CC=N2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C(NC(=O)C1=CC=CC=C1)SC2=CC=CC=N2

InChI

InChI=1S/C20H23N3O4S/c1-13(2)16(20(26)27-3)22-18(25)19(28-15-11-7-8-12-21-15)23-17(24)14-9-5-4-6-10-14/h4-13,16,19H,1-3H3,(H,22,25)(H,23,24)/t16-,19?/m0/s1