N-(7-hydroxy-4-{[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]methyl}-8-(hydroxymethyl)-4a,8-dimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-d][1,3]thiazol-2-yl)hexanamide
AlkaPlorer ID: AK157584
Synonym: None
IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-[2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-2-oxoethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]hexanamide
Structure
SMILES: CCCCCC(=O)NC1=NC2=C(C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@@]3(C)[C@@H]2CC(=O)N[C@@H](CO)CC(C)C)S1
InChI: InChI=1S/C28H47N3O5S/c1-6-7-8-9-23(35)30-26-31-25-19(13-24(36)29-18(15-32)12-17(2)3)27(4)11-10-22(34)28(5,16-33)21(27)14-20(25)37-26/h17-19,21-22,32-34H,6-16H2,1-5H3,(H,29,36)(H,30,31,35)/t18-,19-,21+,22-,27+,28+/m1/s1
InChIKey: XSWWQIWPNFPXOE-SVONZJCISA-N
Source
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Properties Information
Molecule Weight: 537.7670000000003
TPSA？: 131.78
MolLogP？: 3.990700000000002
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
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