6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-8-[2-[(6-methoxypyridin-3-yl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-octanoic acid

Systemtic Name: 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-8-[2-[(6-methoxypyridin-3-yl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-octanoic acid Openeye Name: 6-(2-amino-2-oxo-ethyl)sulfanyl-8-[2-[(6-methoxy-3-pyridyl)methylamino]-2-oxo-ethyl]sulfanyl-octanoic acid CAS Name: 6-[(2-amino-2-oxoethyl)thio]-8-[[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]thio]octanoic acid IUPAC Name: 6-(2-amino-2-oxoethyl)sulfanyl-8-[2-[(6-methoxypyridin-3-yl)methylamino]-2-oxoethyl]sulfanyloctanoic acid Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-8-[[2-keto-2-[(6-methoxy-3-pyridyl)methylamino]ethyl]thio]caprylic acid Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CNC(=O)CSCCC(CCCCC(=O)O)SCC(=O)N

Isomeric SMILES

COC1=NC=C(C=C1)CNC(=O)CSCCC(CCCCC(=O)O)SCC(=O)N

InChI

InChI=1S/C19H29N3O5S2/c1-27-18-7-6-14(11-22-18)10-21-17(24)13-28-9-8-15(29-12-16(20)23)4-2-3-5-19(25)26/h6-7,11,15H,2-5,8-10,12-13H2,1H3,(H2,20,23)(H,21,24)(H,25,26)