(2S)-2-[(4S,4aS,5S,6S,8aS)-5-hydroxy-4,8a-dimethyl-2-(phenylamino)-4H,4aH,5H,6H,7H,8H,9H-naphtho[2,3-d][1,3]thiazol-6-yl]-N-(2-methoxyethyl)propanamide
AlkaPlorer ID: AK259855
Synonym: None
IUPAC Name: (2S)-2-[(4R,4aS,5S,6R,8aR)-2-anilino-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=CC=C4)S3)[C@H](C)[C@@H]2[C@H]1O
InChI: InChI=1S/C25H35N3O3S/c1-15(23(30)26-12-13-31-4)18-10-11-25(3)14-19-21(16(2)20(25)22(18)29)28-24(32-19)27-17-8-6-5-7-9-17/h5-9,15-16,18,20,22,29H,10-14H2,1-4H3,(H,26,30)(H,27,28)/t15-,16+,18+,20+,22-,25+/m0/s1
InChIKey: VAODGDRISISYGZ-UETZIHCMSA-N
Reference
PubChem CID: 163009348
Source
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Properties Information
Molecule Weight: 457.64
TPSA？: 83.48
MolLogP？: 4.338400000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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