methyl rel-(2E,17xi,18xi,19xi)-2-(carbamamidomethylidene)-3-oxo-5xi,9xi,13xi-lup-20(29)-en-28-oate

Chemical Structure Depiction of
methyl rel-(2E,17xi,18xi,19xi)-2-(carbamamidomethylidene)-3-oxo-5xi,9xi,13xi-lup-20(29)-en-28-oate
Available: 330 mg
Amount:
mg
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Compound characteristics

Compound ID: N066-0065
Compound Name: methyl rel-(2E,17xi,18xi,19xi)-2-(carbamamidomethylidene)-3-oxo-5xi,9xi,13xi-lup-20(29)-en-28-oate
Molecular Weight: 538.77
Molecular Formula: C33 H50 N2 O4
Smiles: CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)C\C(=C/NC(N)=O)C([C@@](C)(C)C5CC[C@@]34C)=O)C12)C(=O)OC
Stereo: MIXTURE OF STEREOISOMERS
logP: 6.1699
logD: 6.1692
logSw: -5.742
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 3
Polar surface area: 81.277
InChI Key: JYLPMVGAHNRXDC-PQYCCFGWSA-N
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