(2S)-2-[(4S,4aS,5S,6S,8aS)-5-hydroxy-4,8a-dimethyl-2-(methylamino)-4H,4aH,5H,6H,7H,8H,9H-naphtho[2,3-d][1,3]thiazol-6-yl]-N-methyl-N-(prop-2-en-1-yl)propanamide
AlkaPlorer ID: AK250642
Synonym: None
IUPAC Name: (2S)-2-[(4R,4aS,5S,6S,8aR)-5-hydroxy-4,8a-dimethyl-2-(methylamino)-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-methyl-N-prop-2-enylpropanamide
Structure
SMILES: C=CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@]2(C)CC3=C(N=C(NC)S3)[C@H](C)[C@@H]2[C@H]1O
InChI: InChI=1S/C21H33N3O2S/c1-7-10-24(6)19(26)12(2)14-8-9-21(4)11-15-17(23-20(22-5)27-15)13(3)16(21)18(14)25/h7,12-14,16,18,25H,1,8-11H2,2-6H3,(H,22,23)/t12-,13+,14-,16+,18-,21+/m0/s1
InChIKey: FVTXKQOWZCDRLI-SECKWUQISA-N
Reference
Bioactive Annonaceous Acetogenins from the Bark of Xylopia aromatica
PubChem CID: 162809722
Source
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Properties Information
Molecule Weight: 391.581
TPSA？: 65.46000000000001
MolLogP？: 3.518300000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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