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BCM

Summary
Name:BICYCLOMYCIN
Formula:C12 H18 N2 O7
Formal charge:0
Formula weight:302.281 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1S,6R)-6-hydroxy-5-methylidene-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione
OpenEye OEToolkits1.5.0(1R,6S)-1-hydroxy-2-methylidene-6-[(1S,2S)-1,2,3-trihydroxy-2-methyl-propyl]-5-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2NC1(OCCC(=C)\C2(O)NC1=O)C(O)C(O)(C)CO
SMILES_CANONICALCACTVS3.341C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(=C)CCO2
SMILESCACTVS3.341C[C](O)(CO)[CH](O)[C]12NC(=O)[C](O)(NC1=O)C(=C)CCO2
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O
SMILESOpenEye OEToolkits1.5.0CC(CO)(C(C12C(=O)NC(C(=C)CCO1)(C(=O)N2)O)O)O
InChIInChI1.03InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1
InChIKeyInChI1.03WOUDXEYYJPOSNE-VKZDFBPFSA-N

217705

PDB entries from 2024-03-27

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