(2S)-2-[[4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]-1-phenyl-cyclohexyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]-1-phenyl-cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]-1-phenyl-cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-1-phenylcyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-1-phenylcyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]-1-phenyl-cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C38H39N3O5 MolecularWeight: 617.73336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)C3CCC(CC3)(C4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)C3CCC(CC3)(C4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C38H39N3O5/c1-26-10-8-9-15-32(26)41-37(46)39-31-18-16-28(17-19-31)25-34(42)29-20-22-38(23-21-29,30-13-6-3-7-14-30)36(45)40-33(35(43)44)24-27-11-4-2-5-12-27/h2-19,29,33H,20-25H2,1H3,(H,40,45)(H,43,44)(H2,39,41,46)/t29?,33-,38?/m0/s1