antibiotic a-40926 b1 (Q27275268)

UNII-C70V7E56T3 (English)

retrieved

20 November 2016

isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1Cl)O)OC1=C(C=CC(=C1)[C@H](C(=O)N[C@H](CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O)Cl)C(=O)O)O)O

1 reference

InChI=1S/C83H88Cl2N8O29/c1-3-4-5-6-7-8-9-10-11-12-56(99)88-65-68(102)70(104)73(81(114)115)122-82(65)121-72-53-27-38-28-54(72)118-50-22-17-37(25-45(50)84)66(100)64-79(111)92-63(80(112)113)43-29-39(95)30-52(119-83-71(105)69(103)67(101)55(33-94)120-83)57(43)42-24-35(15-20-47(42)96)60(76(108)93-64)89-77(109)61(38)90-78(110)62-44-31-41(32-49(98)58(44)85)117-51-26-36(16-21-48(51)97)59(86-2)75(107)87-46(74(106)91-62)23-34-13-18-40(116-53)19-14-34/h13-22,24-32,46,55,59-71,73,82-83,86,94-98,100-105H,3-12,23,33H2,1-2H3,(H,87,107)(H,88,99)(H,89,109)(H,90,110)(H,91,106)(H,92,111)(H,93,108)(H,112,113)(H,114,115)/t46-,55-,59-,60-,61-,62+,63+,64+,65-,66-,67-,68-,69+,70+,71+,73+,82-,83+/m1/s1

UNII-C70V7E56T3 (English)

retrieved

20 November 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

IMGYVEMZPBHISV-PSDJNXLUSA-N

1 reference

UNII-C70V7E56T3 (English)

20 November 2016

0 references

1 reference

(1S,2R,19R,22R,34S,37R,40R,52S)-52-Carboxy-5,32-dichloro-2,26,31,44,49-pentahydroxy-47-(alpha-D-mannopyranosyloxy)-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaun (English)

20 November 2016

2 references