RE1

GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE

Created: 2002-10-15
Last modified:  2024-09-27

Help

Find related ligands:

Chemical Details

Formal Charge-1
Atom Count43
Chiral Atom Count2
Bond Count42
Aromatic Bond Count0
2D diagram of RE1
Toggle HydrogenToggle Labels

Chemical Component Summary

NameGLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
Systematic Name (OpenEye OEToolkits)(2S)-2-(2-azaniumylethanoylamino)-7-[[(1S)-1-(hydroxy-oxido-phosphoryl)ethyl]amino]-7-oxo-heptanoate
FormulaC11 H21 N3 O7 P
Molecular Weight338.274
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-]P(=O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C
SMILESCACTVS3.341C[CH](NC(=O)CCCC[CH](NC(=O)C[NH3+])C([O-])=O)[P](O)([O-])=O
SMILESOpenEye OEToolkits1.5.0CC(NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+])P(=O)(O)[O-]
Canonical SMILESCACTVS3.341 C[C@@H](NC(=O)CCCC[C@H](NC(=O)C[NH3+])C([O-])=O)[P](O)([O-])=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])[P@](=O)(O)[O-]
InChIInChI1.03 InChI=1S/C11H22N3O7P/c1-7(22(19,20)21)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H2,19,20,21)/p-1/t7-,8-/m0/s1
InChIKeyInChI1.03 DREJXTKPUGMERN-YUMQZZPRSA-M

Drug Info: DrugBank

DrugBank IDDB01868 
NameGlycyl-L-a-Aminopimelyl-E-(D-2-Aminoethyl)Phosphonate
Groups experimental
SynonymsGlycyl-L-a-Aminopimelyl-E-(D-2-Aminoethyl)Phosphonate

Drug Targets

NameTarget SequencePharmacological ActionActions
D-alanyl-D-alanine carboxypeptidaseMVSGTVGRGTALGAVLLALLAVPAQAGTAAAADLPAPDDTGLQAVLHTAL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 49867589, 131704183