2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]pyrrolidin-3-yl]acetic acid CAS Name: 2-[(3R)-1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]pyrrolidin-3-yl]acetic acid Traditional Name: 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]pyrrolidin-3-yl]acetic acid Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCC(C2)CC(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CC[C@@H](C2)CC(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H31N3O3S/c1-2-12-28-21-17(20(27)22-16-6-4-3-5-7-16)8-9-18(23-21)24-11-10-15(14-24)13-19(25)26/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,27)(H,25,26)/t15-/m1/s1