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-acetamidoethyl)acetamide
AlkaPlorer ID: AK366689
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-acetamidoethyl)acetamide
Structure
SMILES: CC(=O)NCCNC(=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
InChI: InChI=1S/C26H36N4O4S/c1-16(32)27-11-12-28-22(34)13-18-23-19(35-24(30-23)29-17-7-5-4-6-8-17)14-20-25(18,2)10-9-21(33)26(20,3)15-31/h4-8,18,20-21,31,33H,9-15H2,1-3H3,(H,27,32)(H,28,34)(H,29,30)/t18-,20+,21-,25+,26+/m1/s1
InChIKey: DKZVOWCFQXUBCE-NWVKHJTRSA-N
Reference
Antimicrobial Dialkylresorcinols from <i>Pseudomonas </i>sp. Ki19
PubChem CID: 7051497
SuperNatural Ⅲ: SN0068579-02
Source
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Properties Information
Molecule Weight: 500.6650000000002
TPSA？: 123.58
MolLogP？: 2.9446000000000003
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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