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

Systemtic Name: 8-[2-[(6-aminocarbonylpyridin-3-yl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-octanoic acid Openeye Name: 6-(2-amino-2-oxo-ethyl)sulfanyl-8-[2-[(6-carbamoyl-3-pyridyl)methylamino]-2-oxo-ethyl]sulfanyl-octanoic acid CAS Name: 6-[(2-amino-2-oxoethyl)thio]-8-[[2-[(6-carbamoyl-3-pyridinyl)methylamino]-2-oxoethyl]thio]octanoic acid IUPAC Name: 6-(2-amino-2-oxoethyl)sulfanyl-8-[2-[(6-carbamoylpyridin-3-yl)methylamino]-2-oxoethyl]sulfanyloctanoic acid Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-8-[[2-[(6-carbamoyl-3-pyridyl)methylamino]-2-keto-ethyl]thio]caprylic acid Formula: C19H28N4O5S2 MolecularWeight: 456.57942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1CNC(=O)CSCCC(CCCCC(=O)O)SCC(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=NC=C1CNC(=O)CSCCC(CCCCC(=O)O)SCC(=O)N)C(=O)N

InChI

InChI=1S/C19H28N4O5S2/c20-16(24)11-30-14(3-1-2-4-18(26)27)7-8-29-12-17(25)23-10-13-5-6-15(19(21)28)22-9-13/h5-6,9,14H,1-4,7-8,10-12H2,(H2,20,24)(H2,21,28)(H,23,25)(H,26,27)