N-Deacylantibiotic A 40926 

AlkaPlorer ID: AK294510

Synonym: N-Deacyl A 40926 

IUPAC Name: None

Structure

SMILES: CNC1C(=O)NC2CC3=CC=C(C=C3)OC3=CC4=CC(=C3OC3OC(C(=O)O)C(O)C(O)C3N)OC3=CC=CC(=C3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)C2=CC(=CC(O)=C2Cl)OC2=CC1=CC=C2O)C1=CC=C(O)C(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C=C1C(C(=O)O)NC3=O

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InChI: InChI=1S/C71H66Cl2N8O28/c1-75-48-25-8-12-36(85)39(15-25)104-29-20-33(45(72)37(86)21-29)51-66(97)78-50-26-16-41(103-28-9-5-23(6-10-28)13-34(62(93)79-51)76-63(48)94)60(108-70-47(74)56(89)58(91)61(109-70)69(101)102)42(17-26)105-38-4-2-3-30(46(38)73)54(87)53-67(98)80-52(68(99)100)32-18-27(83)19-40(106-71-59(92)57(90)55(88)43(22-82)107-71)44(32)31-14-24(7-11-35(31)84)49(64(95)81-53)77-65(50)96/h2-12,14-21,34,43,47-59,61,70-71,75,82-92H,13,22,74H2,1H3,(H,76,94)(H,77,96)(H,78,97)(H,79,93)(H,80,98)(H,81,95)(H,99,100)(H,101,102)

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InChIKey: ZHCWHRKHKGWCDK-UHFFFAOYSA-N

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Reference

CAS: 118693-63-3

Properties Information

Molecule Weight: 1550.2430000000006

TPSA: 574.3900000000002

MolLogP: 0.2504000000000057

Number of H-Donors: 21

Number of H-Acceptors: 28

RingCount: 14

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information