methyl (2S)-2-[2-[(4-chloranylpyridin-2-yl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[(4-chloranylpyridin-2-yl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-[(4-chloropyridine-2-carbonyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[[(4-chloro-2-pyridinyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-chloropyridine-2-carbonyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[(4-chloropicolinoyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C14H18ClN3O4S MolecularWeight: 359.82842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)C1=NC=CC(=C1)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)C1=NC=CC(=C1)Cl

InChI

InChI=1S/C14H18ClN3O4S/c1-22-14(21)10(4-6-23-2)18-12(19)8-17-13(20)11-7-9(15)3-5-16-11/h3,5,7,10H,4,6,8H2,1-2H3,(H,17,20)(H,18,19)/t10-/m0/s1