3-[2-[(3-azanyl-4-methyl-phenyl)carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[(3-azanyl-4-methyl-phenyl)carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[(3-amino-4-methyl-benzoyl)amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[(3-amino-4-methylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[(3-amino-4-methylbenzoyl)amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[(3-amino-4-methyl-benzoyl)amino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4/c1-11-4-5-12(7-14(11)19)18(26)21-10-16(23)22-15(8-17(24)25)13-3-2-6-20-9-13/h2-7,9,15H,8,10,19H2,1H3,(H,21,26)(H,22,23)(H,24,25)