2-[(4S,4aR,7R,8R,8aS)-2-(butylamino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-4-yl]-N-(prop-2-yn-1-yl)acetamide
AlkaPlorer ID: AK254200
Synonym: None
IUPAC Name: 2-[(4S,4aR,7R,8R,8aR)-2-(butylamino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-prop-2-ynylacetamide
Structure
SMILES: C#CCNC(=O)C[C@@H]1C2=C(C[C@H]3[C@](C)(CO)[C@H](O)CC[C@]31C)SC(NCCCC)=N2
InChI: InChI=1S/C23H35N3O3S/c1-5-7-11-25-21-26-20-15(12-19(29)24-10-6-2)22(3)9-8-18(28)23(4,14-27)17(22)13-16(20)30-21/h2,15,17-18,27-28H,5,7-14H2,1,3-4H3,(H,24,29)(H,25,26)/t15-,17-,18-,22+,23+/m1/s1
InChIKey: KTGMPEGFTUWJMH-VEDZURPNSA-N
Reference
Lignans from <i>Saururus chinensis</i> with Inhibitory Effects on Nitric Oxide Production
PubChem CID: 163080364
Source
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Properties Information
Molecule Weight: 433.6180000000003
TPSA？: 94.48
MolLogP？: 2.910100000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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