MP2

N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE

Created: 2006-02-02
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count1
Bond Count37
Aromatic Bond Count6
2D diagram of MP2
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Chemical Component Summary

NameN-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE
SynonymsN-CARBOBENZOXY-CYSTEINYL-GLYCINE
Systematic Name (OpenEye OEToolkits)2-[[(2R)-2-phenylmethoxycarbonylamino-3-sulfanyl-propanoyl]amino]ethanoic acid
FormulaC13 H16 N2 O5 S
Molecular Weight312.342
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)CNC(=O)C(NC(=O)OCc1ccccc1)CS
SMILESCACTVS3.341OC(=O)CNC(=O)[CH](CS)NC(=O)OCc1ccccc1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)COC(=O)NC(CS)C(=O)NCC(=O)O
Canonical SMILESCACTVS3.341 OC(=O)CNC(=O)[C@H](CS)NC(=O)OCc1ccccc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)COC(=O)N[C@@H](CS)C(=O)NCC(=O)O
InChIInChI1.03 InChI=1S/C13H16N2O5S/c16-11(17)6-14-12(18)10(8-21)15-13(19)20-7-9-4-2-1-3-5-9/h1-5,10,21H,6-8H2,(H,14,18)(H,15,19)(H,16,17)/t10-/m0/s1
InChIKeyInChI1.03 DHTSUHYTYUXMOL-JTQLQIEISA-N

Drug Info: DrugBank

DrugBank IDDB08199 
NameN-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE
Groups experimental
SynonymsN-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE

Drug Targets

NameTarget SequencePharmacological ActionActions
Metallo-beta-lactamase L1MRSTLLAFALAVALPAAHTSAAEVPLPQLRAYTVDASWLQPMAPLQIADH...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 15942661