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9EV

Summary
Name:6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine
Formula:C16 H24 N3 O9 P
Formal charge:0
Formula weight:433.35 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine
OpenEye OEToolkits2.0.6(2~{S})-2-azanyl-6-[(2~{R})-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-5-oxidanylidene-1,3-oxazolidin-3-yl]hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C2(c1c(c(C)ncc1COP(=O)(O)O)O)N(CC(O2)=O)CCCCC(C(O)=O)N
InChIInChI1.03InChI=1S/C16H24N3O9P/c1-9-14(21)13(10(6-18-9)8-27-29(24,25)26)15-19(7-12(20)28-15)5-3-2-4-11(17)16(22)23/h6,11,15,21H,2-5,7-8,17H2,1H3,(H,22,23)(H2,24,25,26)/t11-,15+/m0/s1
InChIKeyInChI1.03SBAJHYHDSSMXGA-XHDPSFHLSA-N
SMILES_CANONICALCACTVS3.385Cc1ncc(CO[P](O)(O)=O)c([C@H]2OC(=O)CN2CCCC[C@H](N)C(O)=O)c1O
SMILESCACTVS3.385Cc1ncc(CO[P](O)(O)=O)c([CH]2OC(=O)CN2CCCC[CH](N)C(O)=O)c1O
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c(c(c(cn1)COP(=O)(O)O)[C@@H]2N(CC(=O)O2)CCCC[C@@H](C(=O)O)N)O
SMILESOpenEye OEToolkits2.0.6Cc1c(c(c(cn1)COP(=O)(O)O)C2N(CC(=O)O2)CCCCC(C(=O)O)N)O

217705

PDB entries from 2024-03-27

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