2-acetamido-3-[5-[[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-propyl]amino]methyl]-3-methyl-3,4-dihydropyrazol-2-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[5-[[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-propyl]amino]methyl]-3-methyl-3,4-dihydropyrazol-2-yl]propanoic acid Openeye Name: 2-acetamido-3-[5-[[[3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-2-oxo-propyl]amino]methyl]-3-methyl-3,4-dihydropyrazol-2-yl]propanoic acid CAS Name: 2-acetamido-3-[5-[[[3-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxopropyl]amino]methyl]-3-methyl-3,4-dihydropyrazol-2-yl]propanoic acid IUPAC Name: 2-acetamido-3-[5-[[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopropyl]amino]methyl]-3-methyl-3,4-dihydropyrazol-2-yl]propanoic acid Traditional Name: 2-acetamido-3-[3-[[[2-keto-3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]propyl]amino]methyl]-5-methyl-2-pyrazolin-1-yl]propionic acid Formula: C28H36N6O6 MolecularWeight: 552.62204

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NN1CC(C(=O)O)NC(=O)C)CNCC(=O)CC2=CC(=C(C=C2)NC(=O)NC3=CC=CC=C3C)OC

Isomeric SMILES

CC1CC(=NN1CC(C(=O)O)NC(=O)C)CNCC(=O)CC2=CC(=C(C=C2)NC(=O)NC3=CC=CC=C3C)OC

InChI

InChI=1S/C28H36N6O6/c1-17-7-5-6-8-23(17)31-28(39)32-24-10-9-20(13-26(24)40-4)12-22(36)15-29-14-21-11-18(2)34(33-21)16-25(27(37)38)30-19(3)35/h5-10,13,18,25,29H,11-12,14-16H2,1-4H3,(H,30,35)(H,37,38)(H2,31,32,39)