DCF

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Summary

Name:2'-DEOXYCOFORMYCIN
Formula:C11 H16 N4 O4
Formal charge:0
Molecular weight:268.269 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(8R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
OpenEye OEToolkits1.5.0(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-6H-imidazo[4,5-f][1,3]diazepin-8-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c1c(N=CNCC1O)n(c2)C3OC(C(O)C3)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3[C@H](O)CNC=Nc23
SMILESCACTVS3.341OC[CH]1O[CH](C[CH]1O)n2cnc3[CH](O)CNC=Nc23
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O
SMILESOpenEye OEToolkits1.5.0c1nc2c(n1C3CC(C(O3)CO)O)N=CNCC2O
InChIInChI1.03InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
InChIKeyInChI1.03FPVKHBSQESCIEP-JQCXWYLXSA-N
171916
PDB entries from 2020-12-02