N-[(4S,4aS,5S,6S,8aS)-6-[(1S)-1-(diethylcarbamoyl)ethyl]-5-hydroxy-4,8a-dimethyl-4H,4aH,5H,6H,7H,8H,9H-naphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzamide
AlkaPlorer ID: AK151804
Synonym: None
IUPAC Name: N-[(4S,4aS,5S,6S,8aS)-6-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-5-hydroxy-4,8a-dimethyl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-2-yl]-4-methoxybenzamide
Structure
SMILES: CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC3=C(N=C(NC(=O)C4=CC=C(OC)C=C4)S3)[C@@H](C)[C@@H]2[C@H]1O
InChI: InChI=1S/C28H39N3O4S/c1-7-31(8-2)26(34)16(3)20-13-14-28(5)15-21-23(17(4)22(28)24(20)32)29-27(36-21)30-25(33)18-9-11-19(35-6)12-10-18/h9-12,16-17,20,22,24,32H,7-8,13-15H2,1-6H3,(H,29,30,33)/t16-,17-,20-,22+,24-,28-/m0/s1
InChIKey: CWWRSZLUSFDYRU-GMIFSAPQSA-N
Source
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Properties Information
Molecule Weight: 513.7040000000002
TPSA？: 91.76
MolLogP？: 4.961500000000005
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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