3-[[4-[[(4-tert-butylcyclohexyl)-[4-(phenylmethyl)phenyl]carbonyl-amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[4-(phenylmethyl)phenyl]carbonyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-benzylbenzoyl)-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butylcyclohexyl)-[oxo-[4-(phenylmethyl)phenyl]methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-benzylbenzoyl)-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-benzylbenzoyl)-(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]propionic acid Formula: C35H42N2O4 MolecularWeight: 554.71898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C35H42N2O4/c1-35(2,3)30-17-19-31(20-18-30)37(24-27-11-13-28(14-12-27)33(40)36-22-21-32(38)39)34(41)29-15-9-26(10-16-29)23-25-7-5-4-6-8-25/h4-16,30-31H,17-24H2,1-3H3,(H,36,40)(H,38,39)