3-[[1-[(5-acetamido-2-bromanyl-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[1-[(5-acetamido-2-bromanyl-phenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[1-[(5-acetamido-2-bromo-phenyl)methyl]-2-oxo-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[1-[(5-acetamido-2-bromophenyl)methyl]-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[1-[(5-acetamido-2-bromophenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[1-(5-acetamido-2-bromo-benzyl)-2-keto-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C25H25BrN4O5 MolecularWeight: 541.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=C(C=CC(=C3)NC(=O)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=CC=CN(C2=O)CC3=C(C=CC(=C3)NC(=O)C)Br

InChI

InChI=1S/C25H25BrN4O5/c1-15-5-7-17(8-6-15)22(13-23(32)33)29-25(35)28-21-4-3-11-30(24(21)34)14-18-12-19(27-16(2)31)9-10-20(18)26/h3-12,22H,13-14H2,1-2H3,(H,27,31)(H,32,33)(H2,28,29,35)