Aeruginazole DA1304; 3''',5'''-Dichloro

AlkaPlorer ID: AK283418

Synonym: Aeruginazole DA1372

IUPAC Name: None

Structure

SMILES: CCC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C2=CSC(=N2)C(CC(N)=O)NC(=O)C(CC2=CC(Cl)=C(O)C(Cl)=C2)NC(=O)C2=CSC(=N2)C(CC(C)C)NC(=O)C2=CSC1=N2

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InChI: InChI=1S/C61H70Cl2N14O13S3/c1-5-31(4)50-61-76-45(29-93-61)58(90)72-40(16-30(2)3)59-75-44(28-92-59)57(89)71-39(21-34-17-35(62)51(83)36(63)18-34)55(87)73-41(22-46(64)79)60-74-43(27-91-60)53(85)66-23-47(80)65-24-48(81)69-42(26-78)52(84)67-25-49(82)68-37(19-32-12-8-6-9-13-32)54(86)70-38(56(88)77-50)20-33-14-10-7-11-15-33/h6-15,17-18,27-31,37-42,50,78,83H,5,16,19-26H2,1-4H3,(H2,64,79)(H,65,80)(H,66,85)(H,67,84)(H,68,82)(H,69,81)(H,70,86)(H,71,89)(H,72,90)(H,73,87)(H,77,88)

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InChIKey: VAZQUMDXKHAKLY-UHFFFAOYSA-N

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Reference

CAS: 1356994-97-2

Source

Properties Information

Molecule Weight: 1374.4229999999995

TPSA: 413.2199999999999

MolLogP: 2.771000000000008

Number of H-Donors: 13

Number of H-Acceptors: 19

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information