TAN 1030A

AlkaPlorer ID: AK314917

Synonym: None

IUPAC Name: (4Z)-4-hydroxyimino-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

Structure

SMILES: COC1/C(=N/O)CC2OC1(C)N1C3=CC=CC=C3C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C31

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InChI: InChI=1S/C27H22N4O4/c1-27-25(34-2)16(29-33)11-19(35-27)30-17-9-5-3-7-13(17)21-22-15(12-28-26(22)32)20-14-8-4-6-10-18(14)31(27)24(20)23(21)30/h3-10,19,25,33H,11-12H2,1-2H3,(H,28,32)/b29-16+

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InChIKey: XZPCNXORIOQSOG-MUFRIFMGSA-N

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Reference

CAS: 126221-76-9

Properties Information

Molecule Weight: 466.4970000000003

TPSA: 90.00999999999999

MolLogP: 4.596200000000003

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information