PRD_000309

L-leucyl-N-(2-oxopropyl)-L-phenylalaninamide

Created:2012-02-03
Last modified:  2023-09-20

PRD_000309 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1KHP.

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count2
Bond Count68
Aromatic Bond Count12

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Chemical Component Summary

NameL-leucyl-N-(2-oxopropyl)-L-phenylalaninamide
Systematic Name (OpenEye OEToolkits)(phenylmethyl) N-[(2S)-1-[[(2S)-1-[(3-diazo-2-oxidanylidene-propyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
FormulaC26 H31 N5 O5
Molecular Weight493.555
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[N-]=[N+]=C/C(=O)CNC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)Cc2ccccc2
SMILESCACTVS3.370CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)NCC(=O)C=[N+]=[N-]
SMILESOpenEye OEToolkits1.7.6CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)C=[N+]=[N-])NC(=O)OCc2ccccc2
Canonical SMILESCACTVS3.370 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)C=[N+]=[N-]
Canonical SMILESOpenEye OEToolkits1.7.6 CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)C=[N+]=[N-])NC(=O)OCc2ccccc2
InChIInChI1.03 InChI=1S/C26H31N5O5/c1-18(2)13-22(31-26(35)36-17-20-11-7-4-8-12-20)25(34)30-23(14-19-9-5-3-6-10-19)24(33)28-15-21(32)16-29-27/h3-12,16,18,22-23H,13-15,17H2,1-2H3,(H,28,33)(H,30,34)(H,31,35)/t22-,23-/m1/s1
InChIKeyInChI1.03 IUGUNYFKCMJXBV-DHIUTWEWSA-N

Related Resource References

Resource NameReference
PubChem 137178618