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Aspereline G

AlkaPlorer ID: AK031470

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]-3-hydroxypropanoyl]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](CO)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1COC(C)=O

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InChI: InChI=1S/C47H82N10O13/c1-19-26(4)32(50-37(65)42(7,8)53-34(62)31(25(2)3)49-38(66)44(11,12)55-39(67)45(13,14)51-27(5)59)35(63)54-46(15,16)40(68)56-43(9,10)36(64)48-30(23-58)33(61)52-47(17,18)41(69)57-22-20-21-29(57)24-70-28(6)60/h25-26,29-32,58H,19-24H2,1-18H3,(H,48,64)(H,49,66)(H,50,65)(H,51,59)(H,52,61)(H,53,62)(H,54,63)(H,55,67)(H,56,68)/t26?,29-,30-,31-,32-/m0/s1

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InChIKey: JXSPVYCGDZZXPS-NEEIGIFCSA-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: 995.2299999999996

TPSA？: 360.15000000000003

MolLogP？: 6.640700000000012

Number of H-Donors: 10

Number of H-Acceptors: 13

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information