PRD_001095

N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-7-ethoxy-7-oxoheptanoyl]-L-glutaminyl-L-prolyl-L-leucine

PRD_001095 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3S3P.

Find entries where PRD_001095 is present

Toggle HydrogenToggle Labels

Chemical Component Summary

NameN~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-7-ethoxy-7-oxoheptanoyl]-L-glutaminyl-L-prolyl-L-leucine
Identifiers(2S)-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-7-ethoxy-7-oxidanylidene-2-(phenylmethoxycarbonylamino)heptanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid
FormulaC33 H49 N5 O10
Molecular Weight675.77
TypePEPTIDE-LIKE
Isomeric SMILESCCOC(=O)CCCC[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)OCc2ccccc2
InChIInChI=1S/C33H49N5O10/c1-4-47-28(40)15-9-8-13-23(37-33(46)48-20-22-11-6-5-7-12-22)29(41)35-24(16-17-27(34)39)31(43)38-18-10-14-26(38)30(42)36-25(32(44)45)19-21(2)3/h5-7,11-12,21,23-26H,4,8-10,13-20H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)(H,37,46)(H,44,45)/t23?,24?,25-,26?/m1/s1
InChIKeyWKMVYKOIJYQCIN-JNLVHHEDSA-N
CompositionPolymer Sequences: PHQ-XW1-GLN-PRO-LEU
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count97
Chiral Atom Count4
Bond Count98
Aromatic Bond Count6