N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{[(prop-2-yn-1-yl)carbamoyl]methyl}-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzamide
AlkaPlorer ID: AK159504
Synonym: None
IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-methoxybenzamide
Structure
SMILES: C#CCNC(=O)C[C@@H]1C2=C(C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]31C)SC(NC(=O)C1=CC=C(OC)C=C1)=N2
InChI: InChI=1S/C27H33N3O5S/c1-5-12-28-22(33)13-18-23-19(14-20-26(18,2)11-10-21(32)27(20,3)15-31)36-25(29-23)30-24(34)16-6-8-17(35-4)9-7-16/h1,6-9,18,20-21,31-32H,10-15H2,2-4H3,(H,28,33)(H,29,30,34)/t18-,20+,21-,26+,27+/m1/s1
InChIKey: SHMIZPHBKCCPTD-BWSFKYGTSA-N
Source
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Properties Information
Molecule Weight: 511.6440000000003
TPSA？: 120.78
MolLogP？: 2.9590000000000005
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 4
Activities Information
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