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

Systemtic Name: 2-[4-[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[(cyclohexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[cyclohexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[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(=CC=C3)SC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

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

InChI

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