methyl (2S)-2-[2-[(4-chloranylpyridin-2-yl)carbonylamino]ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(4-chloranylpyridin-2-yl)carbonylamino]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(4-chloropyridine-2-carbonyl)amino]acetyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[2-[[(4-chloro-2-pyridinyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-chloropyridine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[2-[(4-chloropicolinoyl)amino]acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C12H14ClN3O5 MolecularWeight: 315.70966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O5/c1-21-12(20)9(6-17)16-10(18)5-15-11(19)8-4-7(13)2-3-14-8/h2-4,9,17H,5-6H2,1H3,(H,15,19)(H,16,18)/t9-/m0/s1