4-azanyl-2-[2-[(5-chloranylpyridin-2-yl)-methyl-amino]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[(5-chloranylpyridin-2-yl)-methyl-amino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[(5-chloro-2-pyridyl)-methyl-amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[(5-chloropyridin-2-yl)-methylamino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[(5-chloro-2-pyridyl)-methyl-amino]acetyl]amino]-4-keto-butyric acid Formula: C12H15ClN4O4 MolecularWeight: 314.7249

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CC(=O)N)C(=O)O)C1=NC=C(C=C1)Cl

Isomeric SMILES

CN(CC(=O)NC(CC(=O)N)C(=O)O)C1=NC=C(C=C1)Cl

InChI

InChI=1S/C12H15ClN4O4/c1-17(10-3-2-7(13)5-15-10)6-11(19)16-8(12(20)21)4-9(14)18/h2-3,5,8H,4,6H2,1H3,(H2,14,18)(H,16,19)(H,20,21)