2-[2-[(5-chloranylpyridin-2-yl)-methyl-amino]ethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-[(5-chloranylpyridin-2-yl)-methyl-amino]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[(5-chloro-2-pyridyl)-methyl-amino]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(5-chloropyridin-2-yl)-methylamino]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(5-chloro-2-pyridyl)-methyl-amino]acetyl]amino]-3-methyl-valeric acid Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CN(C)C1=NC=C(C=C1)Cl

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CN(C)C1=NC=C(C=C1)Cl

InChI

InChI=1S/C14H20ClN3O3/c1-4-9(2)13(14(20)21)17-12(19)8-18(3)11-6-5-10(15)7-16-11/h5-7,9,13H,4,8H2,1-3H3,(H,17,19)(H,20,21)