3-[[4-[[(4-tert-butylcyclohexyl)-(naphthalen-2-ylcarbamoyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(naphthalen-2-ylcarbamoyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(2-naphthylcarbamoyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butylcyclohexyl)-[(2-naphthalenylamino)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(naphthalen-2-ylcarbamoyl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(2-naphthylcarbamoyl)amino]methyl]benzoyl]amino]propionic acid Formula: C32H39N3O4 MolecularWeight: 529.66976

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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)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C32H39N3O4/c1-32(2,3)26-13-16-28(17-14-26)35(31(39)34-27-15-12-23-6-4-5-7-25(23)20-27)21-22-8-10-24(11-9-22)30(38)33-19-18-29(36)37/h4-12,15,20,26,28H,13-14,16-19,21H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)