PRD_000319

methyl N-{(2S,4S,5S)-5-[(L-alanyl-L-alanyl)amino]-2-benzyl-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate

PRD_000319 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1HEF.

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Chemical Component Summary

Namemethyl N-{(2S,4S,5S)-5-[(L-alanyl-L-alanyl)amino]-2-benzyl-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate
Identifiersmethyl (2S)-2-[[(2S)-2-[[(2R,4S,5S)-5-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
FormulaC36 H53 N5 O7
Molecular Weight667.835
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N
InChIInChI=1S/C36H53N5O7/c1-21(2)30(35(46)41-31(22(3)4)36(47)48-7)40-34(45)27(18-25-14-10-8-11-15-25)20-29(42)28(19-26-16-12-9-13-17-26)39-33(44)24(6)38-32(43)23(5)37/h8-17,21-24,27-31,42H,18-20,37H2,1-7H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t23-,24-,27-,28+,29+,30+,31+/m1/s1
InChIKeyIHMGBVMHXUDKSQ-FCSFUEGSSA-N
CompositionPolymer Sequences: ALA-ALA-PJJ-VAL-VME
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count101
Chiral Atom Count7
Bond Count102
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 446057