PRD_002328

TYROSTATIN (Bound Form)

PRD_002328 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 6M9F.

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Chemical Component Summary

NameTYROSTATIN (Bound Form)
Identifiers(2~{S})-2-[[(2~{S})-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-~{N}-[(2~{S})-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]-4-methyl-pentanamide
FormulaC29 H41 N3 O6
Molecular Weight527.652
TypePEPTIDE-LIKE
Isomeric SMILESCC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)CO)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)CC(C)C
InChIInChI=1S/C29H41N3O6/c1-18(2)13-25(28(37)30-22(17-33)15-20-5-9-23(34)10-6-20)32-29(38)26(31-27(36)14-19(3)4)16-21-7-11-24(35)12-8-21/h5-12,18-19,22,25-26,33-35H,13-17H2,1-4H3,(H,30,37)(H,31,36)(H,32,38)/t22-,25-,26-/m0/s1
InChIKeyOLPHZEDMFNLEAJ-HRNNMHKYSA-N
CompositionPolymer Sequences: IVA-TYR-LEU-TYE
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count79
Chiral Atom Count3
Bond Count80
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 23585940