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Trichoderin B

AlkaPlorer ID: AK045712

Synonym: None

IUPAC Name: (2S)-N-[(2S,4S,6S)-6-hydroxy-1-[[1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[(2S)-1-[2-hydroxyethyl(methyl)amino]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxamide

Structure

SMILES: CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](C[C@H](C)C[C@H](O)CC(=O)CC)C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=N[C@H](C(O)=N[C@H](C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=N[C@@H](C)CN(C)CCO)C(C)C)C(C)C

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InChI: InChI=1S/C59H108N10O12/c1-19-21-22-23-24-25-27-39(8)51(77)69-29-26-28-44(69)48(74)61-43(33-38(7)32-42(72)34-41(71)20-2)47(73)64-58(14,15)54(80)67-57(12,13)53(79)63-45(36(3)4)49(75)62-46(37(5)6)50(76)65-59(16,17)55(81)66-56(10,11)52(78)60-40(9)35-68(18)30-31-70/h36-40,42-46,70,72H,19-35H2,1-18H3,(H,60,78)(H,61,74)(H,62,75)(H,63,79)(H,64,73)(H,65,76)(H,66,81)(H,67,80)/t38-,39-,40+,42+,43+,44+,45+,46+/m1/s1

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InChIKey: KBWBVJMZIOXEBP-ULIOYMGRSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Trichoderma sp. Trichoderma Hypocreaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 1149.5709999999992

TPSA？: 341.8

MolLogP？: 10.0073

Number of H-Donors: 10

Number of H-Acceptors: 13

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.02 ug.mL-1 10.1016/j.bmcl.2010.04.100
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.13 ug.mL-1 10.1016/j.bmcl.2010.04.100
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC 0.63 ug.mL-1 10.1016/j.bmcl.2010.04.100

Metabolism Information