0Z9/PRD_000370

CBZ-LEU-ALA-NHOH

Created:2008-08-05
Last modified:  2011-06-04

0Z9/PRD_000370 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1AF0.

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count2
Bond Count50
Aromatic Bond Count6
2D diagram of 0Z9

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Chemical Component Summary

NameCBZ-LEU-ALA-NHOH
Systematic Name (OpenEye OEToolkits)phenylmethyl N-[(2S)-1-[[(2S)-1-(hydroxyamino)-1-oxo-propan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamate
FormulaC17 H25 N3 O5
Molecular Weight351.398
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C
SMILESCACTVS3.341CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)NO
SMILESOpenEye OEToolkits1.5.0CC(C)CC(C(=O)NC(C)C(=O)NO)NC(=O)OCc1ccccc1
Canonical SMILESCACTVS3.341 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NO
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1
InChIInChI1.03 InChI=1S/C17H25N3O5/c1-11(2)9-14(16(22)18-12(3)15(21)20-24)19-17(23)25-10-13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1
InChIKeyInChI1.03 GFVPLCZPHFWQIY-JSGCOSHPSA-N

Related Resource References

Resource NameReference
PubChem 137347917