Acyclic telomycin analogue

AlkaPlorer ID: AK283265

Synonym: None

IUPAC Name: None

Structure

SMILES: CC(NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)CC(N)C(=O)O)C(C)O)C(C)O)C(=O)NCC(=O)N1CCCC1C(=O)N/C(=C\C1=CNC2=CC=CC=C12)C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C(O)C(C)C)C(C)C1=CNC2=CC=CC=C12

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InChI: InChI=1S/C59H79N13O18/c1-27(2)49(78)48(57(86)72-20-12-18-42(72)59(89)90)70-54(83)45(28(3)35-24-62-38-16-10-8-14-34(35)38)67-51(80)39(21-32-23-61-37-15-9-7-13-33(32)37)66-53(82)41-17-11-19-71(41)44(77)25-63-50(79)29(4)64-55(84)46(30(5)74)69-56(85)47(31(6)75)68-52(81)40(26-73)65-43(76)22-36(60)58(87)88/h7-10,13-16,21,23-24,27-31,36,40-42,45-49,61-62,73-75,78H,11-12,17-20,22,25-26,60H2,1-6H3,(H,63,79)(H,64,84)(H,65,76)(H,66,82)(H,67,80)(H,68,81)(H,69,85)(H,70,83)(H,87,88)(H,89,90)/b39-21-

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InChIKey: YCDXYSWUVNOSOI-XFDYYPNTSA-N

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Reference

CAS: 1797444-53-1

Source

Properties Information

Molecule Weight: 1258.3539999999994

TPSA: 486.54

MolLogP: -3.4057000000000164

Number of H-Donors: 17

Number of H-Acceptors: 17

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information