2-acetamido-3-[5-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-3-methyl-butyl]furan-3-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[5-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]-3-methyl-butyl]furan-3-yl]propanoic acid Openeye Name: 2-acetamido-3-[5-[1-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-3-methyl-butyl]-3-furyl]propanoic acid CAS Name: 2-acetamido-3-[5-[1-[[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-3-methylbutyl]-3-furanyl]propanoic acid IUPAC Name: 2-acetamido-3-[5-[1-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-3-methylbutyl]furan-3-yl]propanoic acid Traditional Name: 2-acetamido-3-[5-[1-[[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]-3-methyl-butyl]-3-furyl]propionic acid Formula: C31H38N4O7 MolecularWeight: 578.65602

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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=CC(=CO3)CC(C(=O)O)NC(=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NC(CC(C)C)C3=CC(=CO3)CC(C(=O)O)NC(=O)C)OC

InChI

InChI=1S/C31H38N4O7/c1-18(2)12-25(28-15-22(17-42-28)13-26(30(38)39)32-20(4)36)33-29(37)16-21-10-11-24(27(14-21)41-5)35-31(40)34-23-9-7-6-8-19(23)3/h6-11,14-15,17-18,25-26H,12-13,16H2,1-5H3,(H,32,36)(H,33,37)(H,38,39)(H2,34,35,40)