Ansatrienin B; 23-Deoxy, N-deacyl, N-(4-methylpentanoyl) 

AlkaPlorer ID: AK288091

Synonym: Trienomycin E, T 23XII, Antibiotic T 23XII

IUPAC Name: (15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl) 2-(4-methylpentanoylamino)propanoate

Structure

SMILES: COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)CCC(C)C)C(C)C(O)C(C)=CCCC2=CC(=CC(O)=C2)NC(=O)C1

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InChI: InChI=1S/C35H50N2O7/c1-23(2)17-18-32(39)36-26(5)35(42)44-31-16-11-9-7-8-10-15-30(43-6)22-33(40)37-28-19-27(20-29(38)21-28)14-12-13-24(3)34(41)25(31)4/h7-11,13,15,19-21,23,25-26,30-31,34,38,41H,12,14,16-18,22H2,1-6H3,(H,36,39)(H,37,40)

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InChIKey: JJBUXIPSVLPJSA-UHFFFAOYSA-N

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Reference

PubChem CID: 78410688

CAS: 107140-29-4

COCONUT: CNP0156505.5

Properties Information

Molecule Weight: 610.7920000000004

TPSA: 134.19

MolLogP: 5.536700000000006

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information