(1R,6S)-2-(hexylsulfanylmethyl)-1-oxidanyl-6-[(S)-oxidanyl-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione

Systemtic Name: (1R,6S)-2-(hexylsulfanylmethyl)-1-oxidanyl-6-[(S)-oxidanyl-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione Openeye Name: (1R,6S)-2-(hexylsulfanylmethyl)-1-hydroxy-6-[(S)-hydroxy-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione CAS Name: (1R,6S)-2-[(hexylthio)methyl]-1-hydroxy-6-[(S)-hydroxy-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione IUPAC Name: (1R,6S)-2-(hexylsulfanylmethyl)-1-hydroxy-6-[(S)-hydroxy-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione Traditional Name: (1R,6S)-2-[(hexylthio)methyl]-1-hydroxy-6-[(S)-hydroxy-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-quinone Formula: C21H36N2O7S MolecularWeight: 460.58474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC1CCOC2(C(=O)NC1(C(=O)N2)O)C(C3(COC(O3)(C)C)C)O

Isomeric SMILES

CCCCCCSCC1CCO[C@]2(C(=O)N[C@@]1(C(=O)N2)O)[C@H]([C@@]3(COC(O3)(C)C)C)O

InChI

InChI=1S/C21H36N2O7S/c1-5-6-7-8-11-31-12-14-9-10-28-21(17(26)22-20(14,27)16(25)23-21)15(24)19(4)13-29-18(2,3)30-19/h14-15,24,27H,5-13H2,1-4H3,(H,22,26)(H,23,25)/t14?,15-,19-,20+,21-/m0/s1