methyl 2-[2-(3-azanylpyridin-2-yl)sulfanylethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-(3-azanylpyridin-2-yl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[(3-amino-2-pyridyl)sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(3-amino-2-pyridinyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-aminopyridin-2-yl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(3-amino-2-pyridyl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=C(C=CC=N1)N

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=C(C=CC=N1)N

InChI

InChI=1S/C14H21N3O3S/c1-4-9(2)12(14(19)20-3)17-11(18)8-21-13-10(15)6-5-7-16-13/h5-7,9,12H,4,8,15H2,1-3H3,(H,17,18)