Bisucaberin B; Lactam

AlkaPlorer ID: AK024149

Synonym: 6,17-Dihydroxy-1,6,12,17-tetraazacyclodocosane-2,5,13,16-tetrone, Bisucaberin

IUPAC Name: 1,12-dihydroxy-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone

Structure

SMILES: O=C1CCC(O)=NCCCCCN(O)C(=O)CCC(O)=NCCCCCN1O

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InChI: InChI=1S/C18H32N4O6/c23-15-7-10-18(26)22(28)14-6-2-4-12-20-16(24)8-9-17(25)21(27)13-5-1-3-11-19-15/h27-28H,1-14H2,(H,19,23)(H,20,24)

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InChIKey: GTADQMQBQBOJIO-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 400.4760000000002

TPSA: 146.26

MolLogP: 2.249599999999999

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 1

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