4-methyl-2-[[3-methyl-4-(pyridin-3-ylcarbonylamino)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-methyl-4-(pyridin-3-ylcarbonylamino)phenyl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[3-methyl-4-(pyridine-3-carbonylamino)benzoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[[3-methyl-4-[[oxo(3-pyridinyl)methyl]amino]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-methyl-4-(pyridine-3-carbonylamino)benzoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[(3-methyl-4-nicotinamido-benzoyl)amino]valeric acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H23N3O4/c1-12(2)9-17(20(26)27)23-18(24)14-6-7-16(13(3)10-14)22-19(25)15-5-4-8-21-11-15/h4-8,10-12,17H,9H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)