0PI/PRD_000655

CBZ-GLYP-(O)-LEU-LEU (ZGP(O)LL)

Created:2008-09-14
Last modified:  2020-06-05

0PI/PRD_000655 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 6TMN.

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count3
Bond Count65
Aromatic Bond Count6
2D diagram of 0PI
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Chemical Component Summary

NameCBZ-GLYP-(O)-LEU-LEU (ZGP(O)LL)
SynonymsZGP(O)LL
Systematic Name (OpenEye OEToolkits)(2S)-2-[[(2S)-2-(hydroxy-(phenylmethoxycarbonylaminomethyl)phosphoryl)oxy-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
FormulaC21 H33 N2 O8 P
Molecular Weight472.469
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(NC(=O)C(OP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C
SMILESCACTVS3.341CC(C)C[CH](NC(=O)[CH](CC(C)C)O[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O
Canonical SMILESCACTVS3.341 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)O[P@](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O
InChIInChI1.03 InChI=1S/C21H33N2O8P/c1-14(2)10-17(20(25)26)23-19(24)18(11-15(3)4)31-32(28,29)13-22-21(27)30-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t17-,18-/m0/s1
InChIKeyInChI1.03 WPUXZWKBJRFUJC-ROUUACIJSA-N

Related Resource References

Resource NameReference
PubChem 449586