PRD_000379

N-acetylated chloromethylated fibrinopeptide A

PRD_000379 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1FPH.

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Chemical Component Summary

NameN-acetylated chloromethylated fibrinopeptide A
Identifiers[[[(4S)-4-[[(2S)-2-[2-[2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]-3-methyl-butanoyl]amino]-6-chloranyl-5-oxidanyl-hexyl]amino]-azanyl-methylidene]azanium
FormulaC47 H75 Cl N13 O15
Molecular Weight1,097.629
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C
InChIInChI=1S/C47H74ClN13O15/c1-24(2)17-31(59-44(74)32(18-28-11-8-7-9-12-28)60-45(75)33(19-39(69)70)56-27(6)62)43(73)55-26(5)41(71)58-30(14-15-38(67)68)42(72)54-22-36(65)52-21-35(64)53-23-37(66)61-40(25(3)4)46(76)57-29(34(63)20-48)13-10-16-51-47(49)50/h7-9,11-12,24-26,29-34,40,63H,10,13-23H2,1-6H3,(H,52,65)(H,53,64)(H,54,72)(H,55,73)(H,56,62)(H,57,76)(H,58,71)(H,59,74)(H,60,75)(H,61,66)(H,67,68)(H,69,70)(H4,49,50,51)/p+1
InChIKeyKMUSRAAXNCPVQY-UHFFFAOYSA-O
CompositionPolymer Sequences: ACE-ASP-PHE-LEU-ALA-GLU-GLY-GLY-GLY-VAL-AR7-0QE
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count151
Chiral Atom Count7
Bond Count151
Aromatic Bond Count6