5-azanyl-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[2-(methylthio)nicotinoyl]amino]valeric acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c1-20-11-7(3-2-6-14-11)10(17)15-8(12(18)19)4-5-9(13)16/h2-3,6,8H,4-5H2,1H3,(H2,13,16)(H,15,17)(H,18,19)