Aeruginazole DA1304; 3'''-Chloro

AlkaPlorer ID: AK283417

Synonym: Aeruginazole DA1338

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=C2)NC(=O)C2=CSC(=N2)C(CC(C)C)NC(=O)C2=CSC1=N2

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InChI: InChI=1S/C61H71ClN14O13S3/c1-5-32(4)51-61-75-45(30-92-61)58(89)71-40(18-31(2)3)59-74-44(29-91-59)57(88)70-39(22-35-16-17-46(78)36(62)19-35)55(86)72-41(23-47(63)79)60-73-43(28-90-60)53(84)65-24-48(80)64-25-49(81)68-42(27-77)52(83)66-26-50(82)67-37(20-33-12-8-6-9-13-33)54(85)69-38(56(87)76-51)21-34-14-10-7-11-15-34/h6-17,19,28-32,37-42,51,77-78H,5,18,20-27H2,1-4H3,(H2,63,79)(H,64,80)(H,65,84)(H,66,83)(H,67,82)(H,68,81)(H,69,85)(H,70,88)(H,71,89)(H,72,86)(H,76,87)

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InChIKey: SEMRDIVESIZIKD-UHFFFAOYSA-N

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Reference

CAS: 1356994-96-1

Source

Properties Information

Molecule Weight: 1339.9779999999996

TPSA: 413.2199999999999

MolLogP: 2.1176000000000075

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