PRD_001238

PEPSTATIN ANALOGUE ISOVALERYL-VAL-VAL-STA-O-ET

PRD_001238 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1APU.

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Chemical Component Summary

NamePEPSTATIN ANALOGUE ISOVALERYL-VAL-VAL-STA-O-ET
Identifiersethyl (3S,4S)-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-3-oxidanyl-heptanoate
FormulaC25 H47 N3 O6
Molecular Weight485.657
TypePEPTIDE-LIKE
Isomeric SMILESCCOC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O
InChIInChI=1S/C25H47N3O6/c1-10-34-21(31)13-19(29)18(11-14(2)3)26-24(32)23(17(8)9)28-25(33)22(16(6)7)27-20(30)12-15(4)5/h14-19,22-23,29H,10-13H2,1-9H3,(H,26,32)(H,27,30)(H,28,33)/t18-,19-,22?,23+/m1/s1
InChIKeySMVMSLPPAGGLDL-LVLUKITMSA-N
CompositionPolymer Sequences: IVA-VAL-VAL-32L
BIRD classENZYME INHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count81
Chiral Atom Count4
Bond Count80
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 444340
ChEMBL CHEMBL433050