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Tasiamide F

AlkaPlorer ID: AK104178

Synonym: None

IUPAC Name: methyl (2S)-1-[(2R)-2-[[2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-hydroxypropanoyl]amino]-3-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate

Structure

SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](C)O)C(=O)N(C)[C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CC=CC=C1)[C@@H](O)CC(O)=N[C@H](C(O)=NCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC

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InChI: InChI=1S/C50H74N8O12/c1-9-30(3)43(47(66)52-29-42(63)56(6)38(27-34-20-15-12-16-21-34)48(67)58-25-17-22-37(58)50(69)70-8)54-41(62)28-39(60)35(26-33-18-13-11-14-19-33)53-46(65)36(23-24-40(51)61)57(7)49(68)44(31(4)10-2)55-45(64)32(5)59/h11-16,18-21,30-32,35-39,43-44,59-60H,9-10,17,22-29H2,1-8H3,(H2,51,61)(H,52,66)(H,53,65)(H,54,62)(H,55,64)/t30-,31-,32-,35-,36-,37-,38+,39-,43-,44-/m0/s1

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InChIKey: CJLWKFUIIJXJBZ-PMQPHXACSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Lyngbya Oscillatoriaceae Oscillatoriales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 979.1859999999996

TPSA？: 302.13

MolLogP？: 4.761070000000012

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Beta-secretase 1 IC50 690.0 nM 10.1016/j.bmc.2016.04.062
Homo sapiens Cathepsin D IC50 57.0 nM 10.1016/j.bmc.2016.04.062
Homo sapiens Cathepsin E IC50 23.0 nM 10.1016/j.bmc.2016.04.062
None Unchecked Ratio IC50 2.4 None 10.1016/j.bmc.2016.04.062
None Unchecked Ratio IC50 12.0 None 10.1016/j.bmc.2016.04.062
None Unchecked Ratio IC50 30.0 None 10.1016/j.bmc.2016.04.062

Metabolism Information