2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-phenethylsulfanyl-pyridin-2-yl]piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-phenethylsulfanyl-pyridin-2-yl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-phenethylsulfanyl-2-pyridyl]-3-piperidyl]acetic acid CAS Name: 2-[(3S)-1-[5-[(cyclohexylamino)-oxomethyl]-6-(phenethylthio)-2-pyridinyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-phenethylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid Traditional Name: 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(phenethylthio)-2-pyridyl]-3-piperidyl]acetic acid Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(N=C(C=C2)N3CCCC(C3)CC(=O)O)SCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(N=C(C=C2)N3CCC[C@H](C3)CC(=O)O)SCCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3S/c31-25(32)18-21-10-7-16-30(19-21)24-14-13-23(26(33)28-22-11-5-2-6-12-22)27(29-24)34-17-15-20-8-3-1-4-9-20/h1,3-4,8-9,13-14,21-22H,2,5-7,10-12,15-19H2,(H,28,33)(H,31,32)/t21-/m0/s1