3-[3-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-3-methyl-butyl]pyrrol-1-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[3-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-3-methyl-butyl]pyrrol-1-yl]-2-methyl-propanoic acid Openeye Name: 3-[3-[1-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-3-methyl-butyl]pyrrol-1-yl]-2-methyl-propanoic acid CAS Name: 3-[3-[1-[[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-3-methylbutyl]-1-pyrrolyl]-2-methylpropanoic acid IUPAC Name: 3-[3-[1-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-3-methylbutyl]pyrrol-1-yl]-2-methylpropanoic acid Traditional Name: 3-[3-[1-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-3-methyl-butyl]pyrrol-1-yl]-2-methyl-propionic acid Formula: C30H38N4O5 MolecularWeight: 534.64652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O5/c1-19(2)14-26(23-12-13-34(18-23)17-21(4)29(36)37)31-28(35)16-22-10-11-25(27(15-22)39-5)33-30(38)32-24-9-7-6-8-20(24)3/h6-13,15,18-19,21,26H,14,16-17H2,1-5H3,(H,31,35)(H,36,37)(H2,32,33,38)