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Aspereline E

AlkaPlorer ID: AK074047

Synonym: None

IUPAC Name: (2S,3S)-2-[[2-[[(2S)-2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[(2S)-3-hydroxy-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(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]1CO

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InChI: InChI=1S/C45H80N10O12/c1-18-25(4)30(48-35(63)40(6,7)51-32(60)29(24(2)3)47-36(64)42(10,11)53-37(65)43(12,13)49-26(5)58)33(61)52-44(14,15)38(66)54-41(8,9)34(62)46-28(23-57)31(59)50-45(16,17)39(67)55-21-19-20-27(55)22-56/h24-25,27-30,56-57H,18-23H2,1-17H3,(H,46,62)(H,47,64)(H,48,63)(H,49,58)(H,50,59)(H,51,60)(H,52,61)(H,53,65)(H,54,66)/t25-,27-,28-,29-,30-/m0/s1

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InChIKey: RSDUGRUZONMYBE-BJNPORTCSA-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: 953.1929999999996

TPSA？: 354.08000000000004

MolLogP？: 6.069900000000011

Number of H-Donors: 11

Number of H-Acceptors: 12

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information