N-[(2S)-3,3-dimethyl-1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]-4-methyl-2-(2-sulfanylethanoyl)pentanamide

Systemtic Name: N-[(2S)-3,3-dimethyl-1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]-4-methyl-2-(2-sulfanylethanoyl)pentanamide Openeye Name: N-[(1S)-2,2-dimethyl-1-(2-pyridylcarbamoyl)propyl]-4-methyl-2-(2-sulfanylacetyl)pentanamide CAS Name: N-[(2S)-3,3-dimethyl-1-oxo-1-(2-pyridinylamino)butan-2-yl]-2-(2-mercapto-1-oxoethyl)-4-methylpentanamide IUPAC Name: N-[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-4-methyl-2-(2-sulfanylacetyl)pentanamide Traditional Name: N-[(1S)-2,2-dimethyl-1-(2-pyridylcarbamoyl)propyl]-2-(2-mercaptoacetyl)-4-methyl-valeramide Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CS)C(=O)NC(C(=O)NC1=CC=CC=N1)C(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)CS)C(=O)N[C@H](C(=O)NC1=CC=CC=N1)C(C)(C)C

InChI

InChI=1S/C19H29N3O3S/c1-12(2)10-13(14(23)11-26)17(24)22-16(19(3,4)5)18(25)21-15-8-6-7-9-20-15/h6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,24)(H,20,21,25)/t13?,16-/m1/s1