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name Structure Reference Source Properties Activities Metabolism

(8S,15S,21S,24S)-24-isopropyl-4,8-dimethyl-15-(2-methylpropyl)-3,10-dioxa-26-thia-7,14,17,23,28,29,30-heptaazapentacyclo[23.2.1.1²,⁵.1⁹,¹².0¹⁷,²¹]triaconta-1(27),2(30),4,9(29),11,25(28)-hexaene-6,13,16,22-tetrone

AlkaPlorer ID: AK027198

Synonym: None

IUPAC Name: (8S,15S,21S,24S)-4,8-dimethyl-15-(2-methylpropyl)-24-propan-2-yl-3,10-dioxa-26-thia-7,14,17,23,28,29,30-heptazapentacyclo[23.2.1.12,5.19,12.017,21]triaconta-1(27),2(30),4,9(29),11,25(28)-hexaene-6,13,16,22-tetrone

Structure

SMILES: CC1=C2N=C(O1)C1=CSC(=N1)[C@H](C(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N=C(O)C1=COC(=N1)[C@H](C)N=C2O

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InChI: InChI=1S/C29H37N7O6S/c1-13(2)10-17-29(40)36-9-7-8-20(36)24(38)34-21(14(3)4)28-33-19(12-43-28)27-35-22(16(6)42-27)25(39)30-15(5)26-32-18(11-41-26)23(37)31-17/h11-15,17,20-21H,7-10H2,1-6H3,(H,30,39)(H,31,37)(H,34,38)/t15-,17-,20-,21-/m0/s1

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InChIKey: LTRLGDUGAPGZOA-OQRYQMPQSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Leucetta microraphis Leucetta Leucettidae Clathrinida Calcarea Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 611.7250000000003

TPSA？: 183.03

MolLogP？: 5.537820000000004

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Hepatitis B virus Hepatitis B virus IC50 76400.0 nM 10.1016/j.ejmech.2014.01.046
Influenza A virus Influenza A virus CC50 nan None 10.1016/j.bmcl.2005.08.046
Influenza A virus Influenza A virus IC50 nan None 10.1016/j.bmcl.2005.08.046

Metabolism Information