PRD_000336

Cbz-Leu-Glu-Thr-AAsp-CHCH-CON-tetrahydroquinoline

PRD_000336 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2C2Z.

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Chemical Component Summary

NameCbz-Leu-Glu-Thr-AAsp-CHCH-CON-tetrahydroquinoline
Identifiers(4S)-5-[[(2S,3R)-1-[2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxidanylidene-butanoyl]-2-(2-hydroxy-2-oxoethyl)hydrazinyl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentanoic acid
FormulaC38 H50 N6 O12
Molecular Weight782.837
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H]([C@@H](C(=O)NN(CC(=O)O)C(=O)CCC(=O)N1CCCc2c1cccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)O
InChIInChI=1S/C38H50N6O12/c1-23(2)20-28(40-38(55)56-22-25-10-5-4-6-11-25)36(53)39-27(15-18-32(48)49)35(52)41-34(24(3)45)37(54)42-44(21-33(50)51)31(47)17-16-30(46)43-19-9-13-26-12-7-8-14-29(26)43/h4-8,10-12,14,23-24,27-28,34,45H,9,13,15-22H2,1-3H3,(H,39,53)(H,40,55)(H,41,52)(H,42,54)(H,48,49)(H,50,51)
InChIKeyFRKMBEAEOZPCDQ-UHFFFAOYSA-N
CompositionPolymer Sequences: PHQ-LEU-GLU-THR-MX5
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count106
Chiral Atom Count4
Bond Count108
Aromatic Bond Count12