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Marihysin A

AlkaPlorer ID: AK014554

Synonym: None

IUPAC Name: 3-[6,12,18-tris(2-amino-2-oxoethyl)-9-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,17,20,24-octaoxo-22-undecyl-1,4,7,10,13,16,19,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide

Structure

SMILES: CCCCCCCCCCCC1CC(O)=NC(CC(=N)O)C(O)=NC(CC2=CC=C(O)C=C2)C(O)=NC(CC(=N)O)C(O)=NC(CO)C(O)=NC(CC(=N)O)C(O)=NC(CCC(=N)O)C(=O)N2CCCC2C(O)=N1

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InChI: InChI=1S/C48H74N12O14/c1-2-3-4-5-6-7-8-9-10-12-28-22-41(67)54-32(23-38(50)64)43(69)56-31(21-27-14-16-29(62)17-15-27)42(68)57-34(25-40(52)66)45(71)59-35(26-61)46(72)58-33(24-39(51)65)44(70)55-30(18-19-37(49)63)48(74)60-20-11-13-36(60)47(73)53-28/h14-17,28,30-36,61-62H,2-13,18-26H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,73)(H,54,67)(H,55,70)(H,56,69)(H,57,68)(H,58,72)(H,59,71)

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InChIKey: PKVQGSJLTUPLBO-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Bacillus Bacillidae Phasmatodea Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 1043.1899999999996

TPSA？: 465.22000000000014

MolLogP？: 6.609880000000008

Number of H-Donors: 17

Number of H-Acceptors: 14

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information