2-[2-[2-[(6-chloranylpyridin-3-yl)carbonylamino]phenyl]ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[2-[(6-chloranylpyridin-3-yl)carbonylamino]phenyl]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[2-[(6-chloropyridine-3-carbonyl)amino]phenyl]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[2-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[2-[(6-chloropyridine-3-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[2-[(6-chloronicotinoyl)amino]phenyl]acetyl]amino]-4-methyl-valeric acid Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C20H22ClN3O4/c1-12(2)9-16(20(27)28)23-18(25)10-13-5-3-4-6-15(13)24-19(26)14-7-8-17(21)22-11-14/h3-8,11-12,16H,9-10H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)