PRD_000246

N~2~-acetyl-N~5~-[amino(iminio)methyl]-L-ornithyl-L-alpha-glutamyl-N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-N~5~- [amino(iminio)methyl]-L-ornithinamide

PRD_000246 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2ID4.

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Chemical Component Summary

NameN~2~-acetyl-N~5~-[amino(iminio)methyl]-L-ornithyl-L-alpha-glutamyl-N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-N~5~- [amino(iminio)methyl]-L-ornithinamide
Identifiers[[[(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-5-[[azaniumylidene(azanyl)methyl]amino]-1-[[(3S)-7-azanyl-1-chloranyl-2-oxidanyl-heptan-3-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium
FormulaC26 H52 Cl N11 O7
Molecular Weight666.214
TypePEPTIDE-LIKE
Isomeric SMILESCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@@H](CCCCN)C(CCl)O
InChIInChI=1S/C26H50ClN11O7/c1-15(39)35-17(7-4-12-33-25(29)30)22(43)38-19(9-10-21(41)42)24(45)37-18(8-5-13-34-26(31)32)23(44)36-16(20(40)14-27)6-2-3-11-28/h16-20,40H,2-14,28H2,1H3,(H,35,39)(H,36,44)(H,37,45)(H,38,43)(H,41,42)(H4,29,30,33)(H4,31,32,34)/p+2/t16-,17+,18+,19?,20-/m1/s1
InChIKeyKUBFPIMEUSMNBI-YTNAJCSRSA-P
CompositionPolymer Sequences: ACE-ARG-GLU-ARG-LYK-0QE
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count97
Chiral Atom Count4
Bond Count96
Aromatic Bond Count0