(1R,6S)-2-(methylsulfanylmethyl)-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-(methylsulfanylmethyl)-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)-1-hydroxy-6-[(S)-hydroxy-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-2-(methylsulfanylmethyl)-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione CAS Name: (1R,6S)-1-hydroxy-6-[(S)-hydroxy-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-2-[(methylthio)methyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione IUPAC Name: (1R,6S)-1-hydroxy-6-[(S)-hydroxy-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-2-(methylsulfanylmethyl)-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione Traditional Name: (1R,6S)-1-hydroxy-6-[(S)-hydroxy-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]-2-[(methylthio)methyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-quinone Formula: C16H26N2O7S MolecularWeight: 390.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)(C)C(C23C(=O)NC(C(CCO2)CSC)(C(=O)N3)O)O)C

Isomeric SMILES

C[C@]1(COC(O1)(C)C)[C@@H]([C@@]23C(=O)N[C@@](C(CCO2)CSC)(C(=O)N3)O)O

InChI

InChI=1S/C16H26N2O7S/c1-13(2)24-8-14(3,25-13)10(19)16-12(21)17-15(22,11(20)18-16)9(7-26-4)5-6-23-16/h9-10,19,22H,5-8H2,1-4H3,(H,17,21)(H,18,20)/t9?,10-,14-,15+,16-/m0/s1