(2S)-2-[(4S,4aS,5S,6R,8aS)-2-(butylamino)-5-hydroxy-4,8a-dimethyl-4H,4aH,5H,6H,7H,8H,9H-naphtho[2,3-d][1,3]thiazol-6-yl]-N-methyl-N-(prop-2-en-1-yl)propanamide
AlkaPlorer ID: AK152275
Synonym: None
IUPAC Name: (2S)-2-[(4S,4aS,5S,6R,8aS)-2-(butylamino)-5-hydroxy-4,8a-dimethyl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-methyl-N-prop-2-enylpropanamide
Structure
SMILES: C=CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC3=C(N=C(NCCCC)S3)[C@@H](C)[C@@H]2[C@H]1O
InChI: InChI=1S/C24H39N3O2S/c1-7-9-12-25-23-26-20-16(4)19-21(28)17(15(3)22(29)27(6)13-8-2)10-11-24(19,5)14-18(20)30-23/h8,15-17,19,21,28H,2,7,9-14H2,1,3-6H3,(H,25,26)/t15-,16-,17+,19+,21-,24-/m0/s1
InChIKey: DNQGGGGKIZJULK-TYNPDJOYSA-N
Source
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Properties Information
Molecule Weight: 433.66200000000015
TPSA？: 65.46000000000001
MolLogP？: 4.688600000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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