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Aspereline H

AlkaPlorer ID: AK105360

Synonym: None

IUPAC Name: [(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]pyrrolidin-2-yl]methyl acetate

Structure

SMILES: CCC(C)[C@H](N=C(O)C(C)(C)N=C(O)[C@@H](N=C(O)C(C)(C)N=C(O)C(C)(C)N=C(C)O)C(C)C)C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=N[C@@H](C)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1COC(C)=O

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InChI: InChI=1S/C47H82N10O12/c1-20-26(4)32(50-37(64)42(8,9)53-34(61)31(25(2)3)49-38(65)44(12,13)55-39(66)45(14,15)51-28(6)58)35(62)54-46(16,17)40(67)56-43(10,11)36(63)48-27(5)33(60)52-47(18,19)41(68)57-23-21-22-30(57)24-69-29(7)59/h25-27,30-32H,20-24H2,1-19H3,(H,48,63)(H,49,65)(H,50,64)(H,51,58)(H,52,60)(H,53,61)(H,54,62)(H,55,66)(H,56,67)/t26?,27-,30-,31-,32-/m0/s1

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InChIKey: KCNVGXNTEXQPAC-WCGFRGNPSA-N

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Source

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

Properties Information

Molecule Weight: 979.2309999999997

TPSA？: 339.92

MolLogP？: 7.66830000000001

Number of H-Donors: 9

Number of H-Acceptors: 12

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information