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Aspereline B

AlkaPlorer ID: AK054658

Synonym: None

IUPAC Name: (2S,3S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[(2S)-1-[[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-3-methylpentanamide

Structure

SMILES: CC[C@H](C)[C@H](N=C(O)C(C)(C)N=C(O)[C@@H](N=C(O)C(C)(C)N=C(O)[C@H](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]1CO

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InChI: InChI=1S/C44H78N10O11/c1-18-24(4)30(48-37(63)41(10,11)51-33(59)29(23(2)3)47-36(62)40(8,9)49-31(57)25(5)45-27(7)56)34(60)52-43(14,15)38(64)53-42(12,13)35(61)46-26(6)32(58)50-44(16,17)39(65)54-21-19-20-28(54)22-55/h23-26,28-30,55H,18-22H2,1-17H3,(H,45,56)(H,46,61)(H,47,62)(H,48,63)(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,64)/t24-,25-,26-,28-,29-,30-/m0/s1

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InChIKey: MORKULGKMOXVCQ-QXUMGSNFSA-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: 923.1669999999996

TPSA？: 333.85

MolLogP？: 6.707400000000011

Number of H-Donors: 10

Number of H-Acceptors: 11

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information