N-Debenzoyllucentamycin A; N2'-Benzoyl 

AlkaPlorer ID: AK294585

Synonym: Lucentamycin A

IUPAC Name: None

Structure

SMILES: C/C=C1\CN(C(=O)C(CCCCNC(=N)N)NC(=O)C2=CC=CC=C2)C(C(=O)NC(CC(C)C)C(=O)O)C1C

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InChI: InChI=1S/C28H42N6O5/c1-5-19-16-34(23(18(19)4)25(36)33-22(27(38)39)15-17(2)3)26(37)21(13-9-10-14-31-28(29)30)32-24(35)20-11-7-6-8-12-20/h5-8,11-12,17-18,21-23H,9-10,13-16H2,1-4H3,(H,32,35)(H,33,36)(H,38,39)(H4,29,30,31)/b19-5+

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InChIKey: BJWAMDSUOTWAAR-PTXOJBNSSA-N

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Reference

CAS: 949009-86-3

Properties Information

Molecule Weight: 542.6810000000003

TPSA: 177.70999999999998

MolLogP: 1.847070000000003

Number of H-Donors: 6

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information