4-[5-chloranyl-2-(9-phosphonononanoylamino)pyridin-3-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5-chloranyl-2-(9-phosphonononanoylamino)pyridin-3-yl]sulfanylbutanoic acid Openeye Name: 4-[[5-chloro-2-(9-phosphonononanoylamino)-3-pyridyl]sulfanyl]butanoic acid CAS Name: 4-[[5-chloro-2-[(1-oxo-9-phosphonononyl)amino]-3-pyridinyl]thio]butanoic acid IUPAC Name: 4-[5-chloro-2-(9-phosphonononanoylamino)pyridin-3-yl]sulfanylbutanoic acid Traditional Name: 4-[[5-chloro-2-(9-phosphonononanoylamino)-3-pyridyl]thio]butyric acid Formula: C18H28ClN2O6PS MolecularWeight: 466.916481

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC=C1Cl)NC(=O)CCCCCCCCP(=O)(O)O)SCCCC(=O)O

Isomeric SMILES

C1=C(C(=NC=C1Cl)NC(=O)CCCCCCCCP(=O)(O)O)SCCCC(=O)O

InChI

InChI=1S/C18H28ClN2O6PS/c19-14-12-15(29-11-7-9-17(23)24)18(20-13-14)21-16(22)8-5-3-1-2-4-6-10-28(25,26)27/h12-13H,1-11H2,(H,23,24)(H,20,21,22)(H2,25,26,27)