PRD_000275

Ac-DADE-F(2)Pmp-L-NH(2)

PRD_000275 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1QZ0.

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Chemical Component Summary

NameAc-DADE-F(2)Pmp-L-NH(2)
Identifiers(4S)-5-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid
FormulaC32 H46 F2 N7 O15 P
Molecular Weight837.716
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(=O)O)N
InChIInChI=1S/C32H46F2N7O15P/c1-14(2)10-20(26(36)48)39-30(52)21(11-16-4-6-17(7-5-16)32(33,34)57(54,55)56)41-29(51)19(8-9-23(42)43)38-31(53)22(13-25(46)47)40-27(49)15(3)37-28(50)18(35)12-24(44)45/h4-7,14-15,18-22H,8-13,35H2,1-3H3,(H2,36,48)(H,37,50)(H,38,53)(H,39,52)(H,40,49)(H,41,51)(H,42,43)(H,44,45)(H,46,47)(H2,54,55,56)/t15?,18?,19-,20?,21-,22-/m0/s1
InChIKeyNKFDKTIYJICXQQ-RZEGHKJVSA-N
CompositionPolymer Sequences: ASP-ALA-ASP-GLU-FTY-LEU-NH2
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count103
Chiral Atom Count6
Bond Count103
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 5388923