4-[[(1S,3R)-3-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]cyclopentyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(1S,3R)-3-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]cyclopentyl]carbonylamino]benzoic acid Openeye Name: 4-[[(1S,3R)-3-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]cyclopentanecarbonyl]amino]benzoic acid CAS Name: 4-[[[(1S,3R)-3-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]cyclopentyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(1S,3R)-3-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]cyclopentanecarbonyl]amino]benzoic acid Traditional Name: 4-[[(1S,3R)-3-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]cyclopentanecarbonyl]amino]benzoic acid Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC3CCC(C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H]3CC[C@@H](C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H30N4O5/c1-18-4-2-3-5-25(18)33-29(38)32-23-11-6-19(7-12-23)16-26(34)30-24-15-10-21(17-24)27(35)31-22-13-8-20(9-14-22)28(36)37/h2-9,11-14,21,24H,10,15-17H2,1H3,(H,30,34)(H,31,35)(H,36,37)(H2,32,33,38)/t21-,24+/m0/s1