AYQ/PRD_000633

CYCLOPROPYL-CONSTRAINED AC-PY-Q-N-NH2 TRIPEPTIDE MIMIC

AYQ/PRD_000633 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3IN7.

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Chemical Component Summary

NameCYCLOPROPYL-CONSTRAINED AC-PY-Q-N-NH2 TRIPEPTIDE MIMIC
Identifiers[4-[(1S,2R,3R)-2-[[(2S)-5-azanyl-1-[[(2S)-1,4-bis(azanyl)-1,4-dioxo-butan-2-yl]amino]-1,5-dioxo-pentan-2-yl]carbamoyl]-3-(methylcarbamoyl)cyclopropyl]phenyl] dihydrogen phosphate
FormulaC21 H29 N6 O10 P
Molecular Weight556.463
TypePEPTIDE-LIKE
Isomeric SMILESCNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)c2ccc(cc2)OP(=O)(O)O
InChIInChI=1S/C21H29N6O10P/c1-25-20(32)16-15(9-2-4-10(5-3-9)37-38(34,35)36)17(16)21(33)26-11(6-7-13(22)28)19(31)27-12(18(24)30)8-14(23)29/h2-5,11-12,15-17H,6-8H2,1H3,(H2,22,28)(H2,23,29)(H2,24,30)(H,25,32)(H,26,33)(H,27,31)(H2,34,35,36)/t11-,12-,15-,16+,17+/m0/s1
InChIKeyRYXSIJXAOLAGQV-PASATYPHSA-N
CompositionPolymer Sequences: AY0-GLN-ASN-NH2
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count5
Bond Count68
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 44462695