Thermoactinoamide A

AlkaPlorer ID: AK536343

Synonym: None

IUPAC Name: 3-butan-2-yl-18-[(4-hydroxyphenyl)methyl]-6,9,12-tris(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Structure

SMILES: CCC(C)C1N=C(O)C(CC(C)C)N=C(O)C(CC(C)C)N=C(O)C(CC(C)C)N=C(O)C(C(C)C)N=C(O)C(CC2=CC=C(O)C=C2)N=C1O

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InChI: InChI=1S/C38H62N6O7/c1-11-24(10)32-38(51)42-30(19-25-12-14-26(45)15-13-25)36(49)43-31(23(8)9)37(50)41-28(17-21(4)5)34(47)39-27(16-20(2)3)33(46)40-29(18-22(6)7)35(48)44-32/h12-15,20-24,27-32,45H,11,16-19H2,1-10H3,(H,39,47)(H,40,46)(H,41,50)(H,42,51)(H,43,49)(H,44,48)

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InChIKey: UIQRJAVAEKADLA-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 714.9490000000002

TPSA: 215.77

MolLogP: 7.739300000000008

Number of H-Donors: 7

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information