0ZJ/PRD_000377

N(alpha)-((acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone

0ZJ/PRD_000377 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1NU9.

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Chemical Component Summary

NameN(alpha)-((acetylthio)acetyl)-phenylalanyl-prolyl-arginine chloromethyl ketone
SynonymsATA-FPR-CH2Cl; ATA-PPACK
Identifiers[azanyl-[[(4S)-6-chloro-5-hydroxy-4-[[(2S)-1-[(2R)-3-phenyl-2-(2-sulfanylethanoylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]hexyl]amino]methylidene]azanium
FormulaC23 H36 Cl N6 O4 S
Molecular Weight528.088
TypePEPTIDE-LIKE
Isomeric SMILESc1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS
InChIInChI=1S/C23H35ClN6O4S/c24-13-19(31)16(8-4-10-27-23(25)26)29-21(33)18-9-5-11-30(18)22(34)17(28-20(32)14-35)12-15-6-2-1-3-7-15/h1-3,6-7,16-19,31,35H,4-5,8-14H2,(H,28,32)(H,29,33)(H4,25,26,27)/p+1/t16-,17+,18-,19+/m0/s1
InChIKeyAZCCJYZROBVYNQ-ZSYWTGECSA-O
CompositionPolymer Sequences: MCR-DPN-PRO-AR7-0QE
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge1
Atom Count71
Chiral Atom Count4
Bond Count72
Aromatic Bond Count6