21U/PRD_000592

D-leucyl-N-(3-chlorobenzyl)-L-prolinamide

Created: 2008-01-21
Last modified:  2011-06-04

21U/PRD_000592 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2ZGB.

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count2
Bond Count51
Aromatic Bond Count6
2D diagram of 21U
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Chemical Component Summary

NameD-leucyl-N-(3-chlorobenzyl)-L-prolinamide
Systematic Name (OpenEye OEToolkits)(2S)-1-[(2R)-2-amino-4-methyl-pentanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
FormulaC18 H26 Cl N3 O2
Molecular Weight351.871
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(NCc1cccc(Cl)c1)C2N(C(=O)C(N)CC(C)C)CCC2
SMILESCACTVS3.341CC(C)C[CH](N)C(=O)N1CCC[CH]1C(=O)NCc2cccc(Cl)c2
SMILESOpenEye OEToolkits1.5.0CC(C)CC(C(=O)N1CCCC1C(=O)NCc2cccc(c2)Cl)N
Canonical SMILESCACTVS3.341 CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc2cccc(Cl)c2
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N
InChIInChI1.03 InChI=1S/C18H26ClN3O2/c1-12(2)9-15(20)18(24)22-8-4-7-16(22)17(23)21-11-13-5-3-6-14(19)10-13/h3,5-6,10,12,15-16H,4,7-9,11,20H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyInChI1.03 FHVBVJXZKNCSLP-CVEARBPZSA-N

Drug Info: DrugBank

DrugBank IDDB06911 
NameD-leucyl-N-(3-chlorobenzyl)-L-prolinamide
Groups experimental
SynonymsD-leucyl-N-(3-chlorobenzyl)-L-prolinamide

Drug Targets

NameTarget SequencePharmacological ActionActions
ProthrombinMAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEE...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 25113127
ChEMBL CHEMBL1229801