OV2/PRD_000930

N-HEXANOYL-L-VALYL-N~1~-[(2R,3S,4S)-1,3-DIHYDROXY-2,6-DIMETHYLHEPTAN-4-YL]-N~5~,N~5~-DIMETHYL-L-GLUTAMAMIDE

OV2/PRD_000930 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4HRC.

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Chemical Component Summary

NameN-HEXANOYL-L-VALYL-N~1~-[(2R,3S,4S)-1,3-DIHYDROXY-2,6-DIMETHYLHEPTAN-4-YL]-N~5~,N~5~-DIMETHYL-L-GLUTAMAMIDE
SynonymsCarmaphycin A analogue, bound from
Identifiers(2S)-N-[(2R,3S,4S)-2,6-dimethyl-1,3-bis(oxidanyl)heptan-4-yl]-2-[[(2S)-2-(hexanoylamino)-3-methyl-butanoyl]amino]-N',N'-dimethyl-pentanediamide
FormulaC27 H52 N4 O6
Molecular Weight528.725
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)CO)O
InChIInChI=1S/C27H52N4O6/c1-9-10-11-12-22(33)30-24(18(4)5)27(37)28-20(13-14-23(34)31(7)8)26(36)29-21(15-17(2)3)25(35)19(6)16-32/h17-21,24-25,32,35H,9-16H2,1-8H3,(H,28,37)(H,29,36)(H,30,33)/t19-,20+,21+,24+,25+/m1/s1
InChIKeyGCNGDQPTMQHXBF-SHYPXNFWSA-N
CompositionPolymer Sequences: 6NA-VAL-QMM-04D
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count89
Chiral Atom Count5
Bond Count88
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 137349862