3-acetamido-3-[3-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl-methyl-amino]methyl]-4,5-dihydro-1H-pyrazol-5-yl]propanoic acid

Systemtic Name: 3-acetamido-3-[3-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl-methyl-amino]methyl]-4,5-dihydro-1H-pyrazol-5-yl]propanoic acid Openeye Name: 3-acetamido-3-[3-[[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-methyl-amino]methyl]-4,5-dihydro-1H-pyrazol-5-yl]propanoic acid CAS Name: 3-acetamido-3-[3-[[[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-methylamino]methyl]-4,5-dihydro-1H-pyrazol-5-yl]propanoic acid IUPAC Name: 3-acetamido-3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-methylamino]methyl]-4,5-dihydro-1H-pyrazol-5-yl]propanoic acid Traditional Name: 3-acetamido-3-[5-[[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-methyl-amino]methyl]-2-pyrazolin-3-yl]propionic acid Formula: C27H34N6O6 MolecularWeight: 538.59546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N(C)CC3=NNC(C3)C(CC(=O)O)NC(=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N(C)CC3=NNC(C3)C(CC(=O)O)NC(=O)C)OC

InChI

InChI=1S/C27H34N6O6/c1-16-7-5-6-8-20(16)29-27(38)30-21-10-9-18(11-24(21)39-4)12-25(35)33(3)15-19-13-23(32-31-19)22(14-26(36)37)28-17(2)34/h5-11,22-23,32H,12-15H2,1-4H3,(H,28,34)(H,36,37)(H2,29,30,38)