(2S)-2-[(1-cyclohexylsulfonylcyclohexyl)carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: (2S)-2-[(1-cyclohexylsulfonylcyclohexyl)carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: (2S)-2-[(1-cyclohexylsulfonylcyclohexanecarbonyl)amino]-3-(4-phenylphenyl)propanoic acid CAS Name: (2S)-2-[[(1-cyclohexylsulfonylcyclohexyl)-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2S)-2-[(1-cyclohexylsulfonylcyclohexanecarbonyl)amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: (2S)-2-[(1-cyclohexylsulfonylcyclohexanecarbonyl)amino]-3-(4-phenylphenyl)propionic acid Formula: C28H35NO5S MolecularWeight: 497.6462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)C2(CCCCC2)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)C2(CCCCC2)C(=O)N[C@@H](CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H35NO5S/c30-26(31)25(20-21-14-16-23(17-15-21)22-10-4-1-5-11-22)29-27(32)28(18-8-3-9-19-28)35(33,34)24-12-6-2-7-13-24/h1,4-5,10-11,14-17,24-25H,2-3,6-9,12-13,18-20H2,(H,29,32)(H,30,31)/t25-/m0/s1