(1R,6S)-2-(2-azanylethylsulfanylmethyl)-6-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-1-oxidanyl-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione

Systemtic Name: (1R,6S)-2-(2-azanylethylsulfanylmethyl)-6-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-1-oxidanyl-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione Openeye Name: (1R,6S)-2-(2-aminoethylsulfanylmethyl)-1-hydroxy-6-[(1S,2S)-1,2,3-trihydroxy-2-methyl-propyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione CAS Name: (1R,6S)-2-[(2-aminoethylthio)methyl]-1-hydroxy-6-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione IUPAC Name: (1R,6S)-2-(2-aminoethylsulfanylmethyl)-1-hydroxy-6-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione Traditional Name: (1R,6S)-2-[(2-aminoethylthio)methyl]-1-hydroxy-6-[(1S,2S)-1,2,3-trihydroxy-2-methyl-propyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-quinone Formula: C14H25N3O7S MolecularWeight: 379.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(C12C(=O)NC(C(CCO1)CSCCN)(C(=O)N2)O)O)O

Isomeric SMILES

C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(CCO1)CSCCN)(C(=O)N2)O)O)O

InChI

InChI=1S/C14H25N3O7S/c1-12(22,7-18)9(19)14-11(21)16-13(23,10(20)17-14)8(2-4-24-14)6-25-5-3-15/h8-9,18-19,22-23H,2-7,15H2,1H3,(H,16,21)(H,17,20)/t8?,9-,12-,13+,14-/m0/s1