WS 9326A

AlkaPlorer ID: AK317911

Synonym: FK224, FR 115224

IUPAC Name: None

Structure

SMILES: CCC/C=C\C1=CC=CC=C1/C=C\C(=O)NC1C(=O)N(C)/C(=C/C2=CC=C(O)C=C2)C(=O)NC(CC(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)O)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)OC1C

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InChI: InChI=1S/C54H68N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9-25,28,31-33,39-42,46-47,63-65H,7-8,26-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b17-10-,25-22-,43-28+

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InChIKey: BVVWVQZZLUNSNV-DXUMUBTNSA-N

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Reference

CAS: 125774-71-2

Properties Information

Molecule Weight: 1037.1809999999998

TPSA: 324.99

MolLogP: 1.1096000000000092

Number of H-Donors: 10

Number of H-Acceptors: 13

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information