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F55

Summary
Name:N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
Synonyms:N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
N-{[(4-chlorophenyl)carbonyl]carbamoyl}-D-glucosylamine; N-{[(4-chlorophenyl)carbonyl]carbamoyl}-glucosylamine
Formula:C14 H17 Cl N2 O7
Formal charge:0
Formula weight:360.747 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
OpenEye OEToolkits1.5.04-chloro-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(Cl)cc2
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.341OC[CH]1O[CH](NC(=O)NC(=O)c2ccc(Cl)cc2)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O)Cl
InChIInChI1.03InChI=1S/C14H17ClN2O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyInChI1.03YTUMHTAWGXUOIS-BZNQNGANSA-N

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PDB entries from 2024-09-18

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