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name Structure Reference Source Properties Activities Metabolism

(2S)-2-(8-{[(1R,2S,4R,5R,6S,7R,10S,11S,14S,16R)-5-(acetyloxy)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-8-oxooctanamido)-5-carbamimidamidopentanoic acid

AlkaPlorer ID: AK077833

Synonym: None

IUPAC Name: (2S)-2-[[8-[[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Structure

SMILES: CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(O)=N[C@@H](CCCNC(=N)N)C(=O)O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1C1=COC(=O)C=C1

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InChI: InChI=1S/C40H58N4O10/c1-23(45)52-34-33(24-12-15-31(47)51-22-24)39(3)19-17-27-28(40(39)35(34)54-40)14-13-25-21-26(16-18-38(25,27)2)53-32(48)11-7-5-4-6-10-30(46)44-29(36(49)50)9-8-20-43-37(41)42/h12,15,22,25-29,33-35H,4-11,13-14,16-21H2,1-3H3,(H,44,46)(H,49,50)(H4,41,42,43)/t25-,26+,27+,28-,29+,33+,34-,35-,38+,39-,40-/m1/s1

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InChIKey: VBCVEPKUYJXQNV-IPAVRDLMSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Gavia immer Gavia Gaviidae Gaviiformes Aves Chordata Metazoa Eukaryota
Halimeda macroloba Halimeda Halimedaceae Bryopsidales Ulvophyceae Chlorophyta Viridiplantae Eukaryota
Aruncus dioicus Aruncus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lecanora conizaeoides Lecanora Lecanoraceae Lecanorales Lecanoromycetes Ascomycota Fungi Eukaryota
Artemisia oranensis Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vitex megapotamica Vitex Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cortinarius rubellus Cortinarius Cortinariaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Strychnos fendleri Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hesperocyparis macrocarpa Hesperocyparis Cupressaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota
Pleurotus citrinopileatus Pleurotus Pleurotaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Vicia villosa Vicia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Buxus sempervirens Buxus Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bufo bufo Bufo Bufonidae Anura Amphibia Chordata Metazoa Eukaryota
Saururus cernuus Saururus Saururaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Potentilla multifida Potentilla Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces plumbeus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 754.922

TPSA？: 227.13

MolLogP？: 5.3643700000000045

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information