BCM
Summary
Name: | BICYCLOMYCIN |
Formula: | C12 H18 N2 O7 |
Formal charge: | 0 |
Formula weight: | 302.281 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (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 OEToolkits | 1.5.0 | (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
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2NC1(OCCC(=C)\C2(O)NC1=O)C(O)C(O)(C)CO |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(=C)CCO2 |
SMILES | CACTVS | 3.341 | C[C](O)(CO)[CH](O)[C]12NC(=O)[C](O)(NC1=O)C(=C)CCO2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CO)(C(C12C(=O)NC(C(=C)CCO1)(C(=O)N2)O)O)O |
InChI | InChI | 1.03 | InChI=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 |
InChIKey | InChI | 1.03 | WOUDXEYYJPOSNE-VKZDFBPFSA-N |