Dibenarthin

AlkaPlorer ID: AK295407

Synonym: None

IUPAC Name: 2-[[5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-[2-[[5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxybutanoyl]oxybutanoic acid

Structure

SMILES: CC(O)C(N=C(O)C(CCCNC(=N)N)N=C(O)C1=CC=CC(O)=C1O)C(=O)OC(C)C(N=C(O)C(CCCNC(=N)N)N=C(O)C1=CC=CC(O)=C1O)C(=O)O

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InChI: InChI=1S/C34H48N10O13/c1-15(45)23(43-29(52)19(9-5-13-39-33(35)36)41-27(50)17-7-3-11-21(46)25(17)48)32(56)57-16(2)24(31(54)55)44-30(53)20(10-6-14-40-34(37)38)42-28(51)18-8-4-12-22(47)26(18)49/h3-4,7-8,11-12,15-16,19-20,23-24,45-49H,5-6,9-10,13-14H2,1-2H3,(H,41,50)(H,42,51)(H,43,52)(H,44,53)(H,54,55)(H4,35,36,39)(H4,37,38,40)

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InChIKey: WUGMTNYESVFCDC-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 804.8149999999999

TPSA: 418.91

MolLogP: 0.1294400000000091

Number of H-Donors: 16

Number of H-Acceptors: 14

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information