EC6/PRD_001161

N-HEXANOYL-L-VALYL-N~1~-[(4S,5S,6R)-5-HYDROXY-2,6-DIMETHYLOCTAN-4-YL]-N~5~,N~5~-DIMETHYL-L-GLUTAMAMIDE

EC6/PRD_001161 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4LTC.

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Chemical Component Summary

NameN-HEXANOYL-L-VALYL-N~1~-[(4S,5S,6R)-5-HYDROXY-2,6-DIMETHYLOCTAN-4-YL]-N~5~,N~5~-DIMETHYL-L-GLUTAMAMIDE
SynonymsDouble bound form of enone carmaphycin analogue 6; (S)-N1-((S,Z)-2,6-dimethyl-5-oxooct-6-en-4-yl)-2-((S)-2-hexanamido-3-methylbutanamido)-N5,N5-dimethylpentanediamide
Identifiers(2S)-N-[(4S,5S,6R)-2,6-dimethyl-5-oxidanyl-octan-4-yl]-2-[[(2S)-2-(hexanoylamino)-3-methyl-butanoyl]amino]-N',N'-dimethyl-pentanediamide
FormulaC28 H54 N4 O5
Molecular Weight526.752
TypePEPTIDE-LIKE
Isomeric SMILESCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CC)O
InChIInChI=1S/C28H54N4O5/c1-10-12-13-14-23(33)31-25(19(5)6)28(37)29-21(15-16-24(34)32(8)9)27(36)30-22(17-18(3)4)26(35)20(7)11-2/h18-22,25-26,35H,10-17H2,1-9H3,(H,29,37)(H,30,36)(H,31,33)/t20-,21+,22+,25+,26+/m1/s1
InChIKeyBFKSFYOCNVYLSG-DGTHGUPJSA-N
CompositionPolymer Sequences: 6NA-VAL-QMM-27W
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count91
Chiral Atom Count5
Bond Count90
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 137349241