2-acetamido-3-[4-[[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-propyl]amino]methyl]-5-methyl-1H-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-[[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-propyl]amino]methyl]-5-methyl-1H-pyrrol-2-yl]propanoic acid Openeye Name: 2-acetamido-3-[4-[[[3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-2-oxo-propyl]amino]methyl]-5-methyl-1H-pyrrol-2-yl]propanoic acid CAS Name: 2-acetamido-3-[4-[[[3-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxopropyl]amino]methyl]-5-methyl-1H-pyrrol-2-yl]propanoic acid IUPAC Name: 2-acetamido-3-[4-[[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopropyl]amino]methyl]-5-methyl-1H-pyrrol-2-yl]propanoic acid Traditional Name: 2-acetamido-3-[4-[[[2-keto-3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]propyl]amino]methyl]-5-methyl-1H-pyrrol-2-yl]propionic acid Formula: C29H35N5O6 MolecularWeight: 549.6181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)CNCC3=C(NC(=C3)CC(C(=O)O)NC(=O)C)C)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)CNCC3=C(NC(=C3)CC(C(=O)O)NC(=O)C)C)OC

InChI

InChI=1S/C29H35N5O6/c1-17-7-5-6-8-24(17)33-29(39)34-25-10-9-20(12-27(25)40-4)11-23(36)16-30-15-21-13-22(31-18(21)2)14-26(28(37)38)32-19(3)35/h5-10,12-13,26,30-31H,11,14-16H2,1-4H3,(H,32,35)(H,37,38)(H2,33,34,39)