sodium 2-[4-[(3aR,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylsulfanyl-oxidanyl-phosphinate

Systemtic Name: sodium 2-[4-[(3aR,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylsulfanyl-oxidanyl-phosphinate Openeye Name: sodium 2-[4-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylsulfanyl-hydroxy-phosphinate CAS Name: sodium [2-[4-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylthio]-hydroxyphosphinate IUPAC Name: sodium 2-[4-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylsulfanyl-hydroxyphosphinate Traditional Name: sodium [2-[4-[(3aR,7aS)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]butylamino]ethylthio]-hydroxy-phosphinate Formula: C14H24N2NaO5PS MolecularWeight: 386.379291

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CCCCNCCSP(=O)(O)[O-].[Na+]

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCNCCSP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C14H25N2O5PS.Na/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);/q;+1/p-1/t11-,12+;