2-[4-[(3aS,7aR)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[4-[(3aS,7aR)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylsulfanylphosphonic acid Openeye Name: 2-[4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylsulfanylphosphonic acid CAS Name: [2-[4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylthio]phosphonic acid IUPAC Name: 2-[4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylsulfanylphosphonic acid Traditional Name: [2-[4-[(3aS,7aR)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylthio]phosphonic acid Formula: C14H25N2O5PS MolecularWeight: 364.397461

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CCCCNCCSP(=O)(O)O

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCNCCSP(=O)(O)O

InChI

InChI=1S/C14H25N2O5PS/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-4-3-7-15-8-10-23-22(19,20)21/h11-12,15H,1-10H2,(H2,19,20,21)/t11-,12+