PRD_000960

N-[(benzyloxy)carbonyl]-L-valyl-L-alpha-glutamyl-N-[(2R)-1-carboxy-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]-L-isoleucinamide

PRD_000960 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4HVA.

Find entries where PRD_000960 is present

Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-[(benzyloxy)carbonyl]-L-valyl-L-alpha-glutamyl-N-[(2R)-1-carboxy-3-oxo-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]-L-isoleucinamide
Identifiers(4S)-5-[[(2S,3S)-3-methyl-1-[[(3R)-1-oxidanyl-1,4-bis(oxidanylidene)-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentan-3-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxidanylidene-pentanoic acid
FormulaC35 H42 F4 N4 O11
Molecular Weight770.722
TypePEPTIDE-LIKE
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)COc1c(c(cc(c1F)F)F)F)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2
InChIInChI=1S/C35H42F4N4O11/c1-5-18(4)30(34(51)41-23(14-26(47)48)24(44)16-53-31-27(38)20(36)13-21(37)28(31)39)42-32(49)22(11-12-25(45)46)40-33(50)29(17(2)3)43-35(52)54-15-19-9-7-6-8-10-19/h6-10,13,17-18,22-23,29-30H,5,11-12,14-16H2,1-4H3,(H,40,50)(H,41,51)(H,42,49)(H,43,52)(H,45,46)(H,47,48)/t18-,22+,23+,29-,30-/m0/s1
InChIKeyROSKRCXAHPVVRB-ULSYJBFESA-N
CompositionPolymer Sequences: PHQ-VAL-GLU-ILE-4H0
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count96
Chiral Atom Count5
Bond Count97
Aromatic Bond Count12