3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-[3-(7-phenylheptylsulfanyl)pyridin-2-yl]propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-[3-(7-phenylheptylsulfanyl)pyridin-2-yl]propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[3-(7-phenylheptylsulfanyl)-2-pyridyl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-2-hydroxy-3-[3-(7-phenylheptylthio)-2-pyridinyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[3-(7-phenylheptylsulfanyl)pyridin-2-yl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-2-hydroxy-3-[3-(7-phenylheptylthio)-2-pyridyl]propionic acid Formula: C24H31NO5S2 MolecularWeight: 477.63664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCSC2=C(N=CC=C2)C(C(C(=O)O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCSC2=C(N=CC=C2)C(C(C(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C24H31NO5S2/c26-20(27)14-17-32-23(22(28)24(29)30)21-19(13-9-15-25-21)31-16-8-3-1-2-5-10-18-11-6-4-7-12-18/h4,6-7,9,11-13,15,22-23,28H,1-3,5,8,10,14,16-17H2,(H,26,27)(H,29,30)