ALD/PRD_001210

PHQ-Leu-Leu-Leu-aldehyde MG-132, bound form

Created: 1999-07-08
Last modified:  2024-09-27

ALD/PRD_001210 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4NNN.

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Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count3
Bond Count77
Aromatic Bond Count6
2D diagram of ALD
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Chemical Component Summary

NamePHQ-Leu-Leu-Leu-aldehyde MG-132, bound form
Systematic Name (OpenEye OEToolkits)(phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate
FormulaC26 H43 N3 O5
Molecular Weight477.637
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(NC(CC(C)C)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
SMILESCACTVS3.370CC(C)C[CH](CO)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1
SMILESOpenEye OEToolkits1.7.6CC(C)CC(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Canonical SMILESCACTVS3.370 CC(C)C[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Canonical SMILESOpenEye OEToolkits1.7.6 CC(C)C[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
InChIInChI1.03 InChI=1S/C26H43N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,17-19,21-23,30H,12-16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
InChIKeyInChI1.03 WUJQMWDTZKIKQZ-VABKMULXSA-N

Related Resource References

Resource NameReference
PubChem 5287667