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UJ9

Summary
Name:Cefepime (open)
Synonyms:(2R,5S)-2-[(1R)-1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-ethyl]-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Cefepimum (reacted)
Formula:C19 H29 N6 O5 S2
Formal charge:1
Formula weight:485.601 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R},5~{S})-2-[(1~{R})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-ethyl]-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H28N6O5S2/c1-25(5-3-4-6-25)7-11-9-31-17(23-14(11)18(28)29)12(8-26)21-16(27)15(24-30-2)13-10-32-19(20)22-13/h10-12,17,26H,3-9H2,1-2H3,(H3-,20,21,22,27,28,29)/p+1/b24-15-/t11-,12-,17-/m1/s1
InChIKeyInChI1.06XJYXJMZNAZABOJ-BNWKVGSUSA-O
SMILES_CANONICALCACTVS3.385CO\N=C(/C(=O)N[C@H](CO)[C@H]1SC[C@@H](C[N+]2(C)CCCC2)C(=N1)C(O)=O)c3csc(N)n3
SMILESCACTVS3.385CON=C(C(=O)N[CH](CO)[CH]1SC[CH](C[N+]2(C)CCCC2)C(=N1)C(O)=O)c3csc(N)n3
SMILES_CANONICALOpenEye OEToolkits2.0.7C[N+]1(CCCC1)C[C@@H]2CS[C@@H](N=C2C(=O)O)[C@@H](CO)NC(=O)/C(=N\OC)/c3csc(n3)N
SMILESOpenEye OEToolkits2.0.7C[N+]1(CCCC1)CC2CSC(N=C2C(=O)O)C(CO)NC(=O)C(=NOC)c3csc(n3)N

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건을2024-11-13부터공개중

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