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name Structure Reference Source Properties Activities Metabolism

N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{[methyl(prop-2-en-1-yl)carbamoyl]methyl}-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-2-yl]-3-fluorobenzamide

AlkaPlorer ID: AK153205

Synonym: None

IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-[methyl(prop-2-enyl)amino]-2-oxoethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-3-fluorobenzamide

Structure

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

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InChI: InChI=1S/C27H34FN3O4S/c1-5-11-31(4)22(34)13-18-23-19(14-20-26(18,2)10-9-21(33)27(20,3)15-32)36-25(29-23)30-24(35)16-7-6-8-17(28)12-16/h5-8,12,18,20-21,32-33H,1,9-11,13-15H2,2-4H3,(H,29,30,35)/t18-,20+,21-,26+,27+/m1/s1

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InChIKey: KYPFPTWOCGYCQJ-BWSFKYGTSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 515.6510000000002

TPSA？: 102.76

MolLogP？: 3.9845000000000015

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information