PRD_000346

N-{(2R)-3-phenyl-2-[(L-prolyl-L-threonyl-L-alpha-glutamyl)amino]propyl}-L-phenylalanyl-N~5~-[amino(iminio)methyl]- L-ornithyl-L-glutamic acid

PRD_000346 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2ER6.

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Chemical Component Summary

NameN-{(2R)-3-phenyl-2-[(L-prolyl-L-threonyl-L-alpha-glutamyl)amino]propyl}-L-phenylalanyl-N~5~-[amino(iminio)methyl]- L-ornithyl-L-glutamic acid
Identifiers[azanyl-[[(4S)-5-[[(2S)-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S,3R)-3-oxidanyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoyl]amino]pentanoyl]amino]-3-phenyl-propyl]amino]-3-phenyl-propanoyl]amino]pentyl]amino]methylidene]azanium
FormulaC43 H63 N10 O12
Molecular Weight912.02
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]3CCCN3)O
InChIInChI=1S/C43H62N10O12/c1-25(54)36(53-37(59)29-14-8-20-46-29)41(63)51-31(16-18-34(55)56)38(60)49-28(22-26-10-4-2-5-11-26)24-48-33(23-27-12-6-3-7-13-27)40(62)50-30(15-9-21-47-43(44)45)39(61)52-32(42(64)65)17-19-35(57)58/h2-7,10-13,25,28-33,36,46,48,54H,8-9,14-24H2,1H3,(H,49,60)(H,50,62)(H,51,63)(H,52,61)(H,53,59)(H,55,56)(H,57,58)(H,64,65)(H4,44,45,47)/p+1/t25-,28+,29-,30?,31-,32-,33-,36+/m0/s1
InChIKeyWNWJVPXOYQRRNI-BOJKBDEQSA-O
CompositionPolymer Sequences: PRO-THR-GLU-PUK-ARG-GLU
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count128
Chiral Atom Count8
Bond Count130
Aromatic Bond Count12