(2S)-2-[(4S,4aS,5S,6S,8aS)-2-[(2,5-dimethoxyphenyl)amino]-5-hydroxy-4,8a-dimethyl-4H,4aH,5H,6H,7H,8H,9H-naphtho[2,3-d][1,3]thiazol-6-yl]-N-(2-methoxyethyl)propanamide
AlkaPlorer ID: AK257606
Synonym: None
IUPAC Name: (2S)-2-[(4R,4aS,5S,6R,8aR)-2-(2,5-dimethoxyanilino)-5-hydroxy-4,8a-dimethyl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-(2-methoxyethyl)propanamide
Structure
SMILES: COCCNC(=O)[C@@H](C)[C@H]1CC[C@]2(C)CC3=C(N=C(NC4=CC(OC)=CC=C4OC)S3)[C@H](C)[C@@H]2[C@H]1O
InChI: InChI=1S/C27H39N3O5S/c1-15(25(32)28-11-12-33-4)18-9-10-27(3)14-21-23(16(2)22(27)24(18)31)30-26(36-21)29-19-13-17(34-5)7-8-20(19)35-6/h7-8,13,15-16,18,22,24,31H,9-12,14H2,1-6H3,(H,28,32)(H,29,30)/t15-,16+,18+,22+,24-,27+/m0/s1
InChIKey: YNFPIFBNAUOXLL-GUOZOCSWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 517.6920000000002
TPSA？: 101.94
MolLogP？: 4.355600000000004
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|