Ansatrienin B; 23-Deoxy, N-deacyl, N-(3-methylbutanoyl) 

AlkaPlorer ID: AK288090

Synonym: Trienomycin B, T 23 XIV, Antibiotic T 23XIV

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-(3-methylbutanoylamino)propanoate

Structure

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

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InChI: InChI=1S/C34H48N2O7/c1-22(2)17-31(38)35-25(5)34(41)43-30-16-11-9-7-8-10-15-29(42-6)21-32(39)36-27-18-26(19-28(37)20-27)14-12-13-23(3)33(40)24(30)4/h7-11,13,15,18-20,22,24-25,29-30,33,37,40H,12,14,16-17,21H2,1-6H3,(H,35,38)(H,36,39)

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InChIKey: JPHBJDDGVQSIGJ-UHFFFAOYSA-N

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Reference

PubChem CID: 73088232

CAS: 100662-01-9

COCONUT: CNP0257907.6

Properties Information

Molecule Weight: 596.7650000000003

TPSA: 134.19

MolLogP: 5.146600000000006

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