methyl 2-[2-(3-azanylpyridin-4-yl)sulfanylethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-(3-azanylpyridin-4-yl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[(3-amino-4-pyridyl)sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(3-amino-4-pyridinyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-aminopyridin-4-yl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(3-amino-4-pyridyl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=C(C=NC=C1)N

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=C(C=NC=C1)N

InChI

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