3-[[4-[[(4-butoxy-3-methylsulfonyl-phenyl)carbamoylamino]-(4-cyclohexylcyclohexyl)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-butoxy-3-methylsulfonyl-phenyl)carbamoylamino]-(4-cyclohexylcyclohexyl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-butoxy-3-methylsulfonyl-phenyl)carbamoylamino]-(4-cyclohexylcyclohexyl)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[(4-butoxy-3-methylsulfonylanilino)-oxomethyl]amino]-(4-cyclohexylcyclohexyl)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-butoxy-3-methylsulfonylphenyl)carbamoylamino]-(4-cyclohexylcyclohexyl)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-butoxy-3-mesyl-phenyl)carbamoylamino]-(4-cyclohexylcyclohexyl)methyl]benzoyl]amino]propionic acid Formula: C35H49N3O7S MolecularWeight: 655.84446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)NC(=O)NC(C2CCC(CC2)C3CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)NC(=O)NC(C2CCC(CC2)C3CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C35H49N3O7S/c1-3-4-22-45-30-19-18-29(23-31(30)46(2,43)44)37-35(42)38-33(26-12-10-25(11-13-26)24-8-6-5-7-9-24)27-14-16-28(17-15-27)34(41)36-21-20-32(39)40/h14-19,23-26,33H,3-13,20-22H2,1-2H3,(H,36,41)(H,39,40)(H2,37,38,42)