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Nostopeptolide A1

AlkaPlorer ID: AK014185

Synonym: None

IUPAC Name: (2S,3S)-N-[(3S,7S,13S,16S,22S,27S,30S,32S)-16-(2-amino-2-oxoethyl)-13-[(4-hydroxyphenyl)methyl]-32-methyl-22,27-bis(2-methylpropyl)-2,6,12,15,18,21,24,26,29-nonaoxo-5-oxa-1,11,14,17,20,23,28-heptazatricyclo[28.3.0.07,11]tritriacontan-3-yl]-2-(butanoylamino)-3-methylpentanamide

Structure

SMILES: CCCC(O)=N[C@H](C(O)=N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](CC(=N)O)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)CC(=O)[C@H](CC(C)C)N=C(O)[C@@H]2C[C@H](C)CN2C1=O)[C@@H](C)CC

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InChI: InChI=1S/C53H80N10O14/c1-9-12-43(67)61-46(31(8)10-2)50(73)60-38-27-77-53(76)39-13-11-18-62(39)51(74)37(22-32-14-16-33(64)17-15-32)59-48(71)36(23-42(54)66)57-45(69)25-55-47(70)35(20-29(5)6)56-44(68)24-41(65)34(19-28(3)4)58-49(72)40-21-30(7)26-63(40)52(38)75/h14-17,28-31,34-40,46,64H,9-13,18-27H2,1-8H3,(H2,54,66)(H,55,70)(H,56,68)(H,57,69)(H,58,72)(H,59,71)(H,60,73)(H,61,67)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1

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InChIKey: VJNXGGVCMFEVSM-ZABMOCCYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Katsuwonus pelamis Katsuwonus Scombridae Scombriformes Actinopteri Chordata Metazoa Eukaryota
Cladrastis sikokiana Cladrastis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Neurolaena lobata Neurolaena Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Peperomia clusiifolia Peperomia Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Grevillea robusta Grevillea Proteaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Smilax moranensis Smilax Smilacaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nostoc sp. GSV224 Nostoc Nostocaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria
Eleutherococcus sieboldianus Eleutherococcus Araliaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vaccinium arctostaphylos Vaccinium Ericaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces pilosus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Eriobotrya deflexa Eriobotrya Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lasius meridionalis Lasius Formicidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota
Meyerozyma guilliermondii Meyerozyma Debaryomycetaceae Saccharomycetales Saccharomycetes Ascomycota Fungi Eukaryota
Ajuga nipponensis Ajuga Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anneissia japonica Anneissia Comatulidae Comatulida Crinoidea Echinodermata Metazoa Eukaryota

Properties Information

Molecule Weight: 1081.278999999999

TPSA？: 376.43

MolLogP？: 6.449570000000012

Number of H-Donors: 10

Number of H-Acceptors: 14

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information