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name Structure Reference Source Properties Activities Metabolism

2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(phenylamino)-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-4-yl]-N-(2-methoxyethyl)acetamide

AlkaPlorer ID: AK275339

Synonym: None

IUPAC Name: 2-[(4S,4aR,7R,8R,8aS)-2-anilino-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-methoxyethyl)acetamide

Structure

SMILES: COCCNC(=O)C[C@@H]1C2=C(C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]31C)SC(NC1=CC=CC=C1)=N2

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InChI: InChI=1S/C25H35N3O4S/c1-24-10-9-20(30)25(2,15-29)19(24)14-18-22(17(24)13-21(31)26-11-12-32-3)28-23(33-18)27-16-7-5-4-6-8-16/h4-8,17,19-20,29-30H,9-15H2,1-3H3,(H,26,31)(H,27,28)/t17-,19+,20-,24+,25+/m1/s1

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InChIKey: VVDYAEPTFBJWIZ-IGDHQNPBSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 473.6390000000002

TPSA？: 103.71

MolLogP？: 3.454900000000001

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information