PRD_000988

N-benzoyl-L-norleucyl-6-ammonio-L-norleucyl-N~5~-[amino(iminio)methyl]-N-[(2S)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-ornithinamide

PRD_000988 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3U1I.

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Chemical Component Summary

NameN-benzoyl-L-norleucyl-6-ammonio-L-norleucyl-N~5~-[amino(iminio)methyl]-N-[(2S)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-ornithinamide
Identifiers[[[(4S)-4-[[(2S)-6-azaniumyl-2-[[(2S)-2-benzamidohexanoyl]amino]hexanoyl]amino]-5-[[(2S)-5-carbamimidamido-1-oxidanyl-pentan-2-yl]amino]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium
FormulaC31 H57 N11 O5
Molecular Weight663.855
TypePEPTIDE-LIKE
Isomeric SMILESCCCC[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@@H](CCCNC(=N)N)CO)NC(=O)c1ccccc1
InChIInChI=1S/C31H55N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,22-25,43H,2-3,7-10,13-20,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/p+2/t22-,23+,24+,25+/m0/s1
InChIKeyFZRVLKFIQFUIPA-ZYQDXHPFSA-P
CompositionPolymer Sequences: BEZ-NLE-LYS-ARG-OAR
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count104
Chiral Atom Count4
Bond Count104
Aromatic Bond Count6