PRD_001157

Ser-Leu-Phe-His-Phenylalanyl-reduced-peptide-bond-Tyrosyl-Thr-Pro

PRD_001157 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4LP9.

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Chemical Component Summary

NameSer-Leu-Phe-His-Phenylalanyl-reduced-peptide-bond-Tyrosyl-Thr-Pro
Identifiers(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-3-ium-4-yl)propanoyl]amino]-3-phenyl-propyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidine-2-carboxylic acid
FormulaC51 H69 N10 O11
Molecular Weight998.154
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)NC[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4c[nH]c[nH+]4)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N)O
InChIInChI=1S/C51H68N10O11/c1-30(2)21-40(57-45(65)38(52)28-62)48(68)58-41(24-33-13-8-5-9-14-33)49(69)59-42(25-35-26-53-29-55-35)47(67)56-36(22-32-11-6-4-7-12-32)27-54-39(23-34-16-18-37(64)19-17-34)46(66)60-44(31(3)63)50(70)61-20-10-15-43(61)51(71)72/h4-9,11-14,16-19,26,29-31,36,38-44,54,62-64H,10,15,20-25,27-28,52H2,1-3H3,(H,53,55)(H,56,67)(H,57,65)(H,58,68)(H,59,69)(H,60,66)(H,71,72)/p+1/t31-,36-,38+,39+,40+,41-,42+,43+,44+/m1/s1
InChIKeyLNFBWKLGGLPEJK-YHQMPCQASA-O
CompositionPolymer Sequences: SER-LEU-PHE-HIS-22G-THR-PRO
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count141
Chiral Atom Count9
Bond Count145
Aromatic Bond Count23