Bisucaberin B

AlkaPlorer ID: AK037191

Synonym: None

IUPAC Name: 4-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid

Structure

SMILES: NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O

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InChI: InChI=1S/C18H34N4O7/c19-11-3-1-5-13-21(28)16(24)8-7-15(23)20-12-4-2-6-14-22(29)17(25)9-10-18(26)27/h28-29H,1-14,19H2,(H,20,23)(H,26,27)

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InChIKey: BFOMYWUPLOKASM-UHFFFAOYSA-N

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Reference

PubChem CID: 16654922

COCONUT: CNP0427432

Properties Information

Molecule Weight: 418.4910000000002

TPSA: 173.49999999999997

MolLogP: 0.4825000000000028

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017945 NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O>>O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1 RXN-11013
AKRT017947 NCCCCCN(O)C(=O)CCC(=O)O.NCCCCCN(O)C(=O)CCC(=O)O>>NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O RXN-11014