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

Systemtic Name: 2-acetamido-3-[3-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl-methyl-amino]methyl]-1,2,4-triazol-1-yl]propanoic acid Openeye Name: 2-acetamido-3-[3-[[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-methyl-amino]methyl]-1,2,4-triazol-1-yl]propanoic acid CAS Name: 2-acetamido-3-[3-[[[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-methylamino]methyl]-1,2,4-triazol-1-yl]propanoic acid IUPAC Name: 2-acetamido-3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-methylamino]methyl]-1,2,4-triazol-1-yl]propanoic acid Traditional Name: 2-acetamido-3-[3-[[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-methyl-amino]methyl]-1,2,4-triazol-1-yl]propionic acid Formula: C26H31N7O6 MolecularWeight: 537.56764

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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=NN(C=N3)CC(C(=O)O)NC(=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N(C)CC3=NN(C=N3)CC(C(=O)O)NC(=O)C)OC

InChI

InChI=1S/C26H31N7O6/c1-16-7-5-6-8-19(16)29-26(38)30-20-10-9-18(11-22(20)39-4)12-24(35)32(3)14-23-27-15-33(31-23)13-21(25(36)37)28-17(2)34/h5-11,15,21H,12-14H2,1-4H3,(H,28,34)(H,36,37)(H2,29,30,38)