2-[3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-[[(cyclohexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[4-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N(CCCC2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)N(CCCC2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C30H34N2O3S/c33-29(34)22-24-11-7-15-28(21-24)36-27-18-16-26(17-19-27)32(20-8-12-23-9-3-1-4-10-23)30(35)31-25-13-5-2-6-14-25/h1,3-4,7,9-11,15-19,21,25H,2,5-6,8,12-14,20,22H2,(H,31,35)(H,33,34)