(1R,5R,6R)-3-(carbamoylmethylcarbamoyl)-6-hydroxy-5-(4-methylbenzamido)cyclohex-3-en-1-yl N-(prop-2-en-1-yl)carbamate
AlkaPlorer ID: AK337954
Synonym: None
IUPAC Name: [3-[(2-amino-2-oxoethyl)carbamoyl]-6-hydroxy-5-[(4-methylbenzoyl)amino]cyclohex-3-en-1-yl] N-prop-2-enylcarbamate
Structure
SMILES: C=CCNC(=O)OC1CC(C(=O)NCC(N)=O)=CC(NC(=O)C2=CC=C(C)C=C2)C1O
InChI: InChI=1S/C21H26N4O6/c1-3-8-23-21(30)31-16-10-14(19(28)24-11-17(22)26)9-15(18(16)27)25-20(29)13-6-4-12(2)5-7-13/h3-7,9,15-16,18,27H,1,8,10-11H2,2H3,(H2,22,26)(H,23,30)(H,24,28)(H,25,29)
InChIKey: AWFZLYODNNWCEF-UHFFFAOYSA-N
Reference
New Steroid Glycosides from the Starfish <i>Asterias </i><i>r</i><i>athbuni</i>
PubChem CID: 3340941
COCONUT: CNP0051952.1
Source
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Properties Information
Molecule Weight: 430.46100000000007
TPSA？: 159.84999999999997
MolLogP？: -0.3332799999999977
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 2
Activities Information
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