(Q27137248)

CHEBI:68894 (English)

7 October 2016

chemical formula

C₄₈H₆₃N₃O₁₃

1 reference

CHEBI:68894 (English)

7 October 2016

canonical SMILES

CC=C(C)C(=O)OC1CC2CC(CC1N2C)OC(=O)C3C(C(C3(C)C(=O)OC4CC5CC(CC4N5C)O)C(=O)OC6CC7CC(CC6N7C)OC(=O)C=C(C)C(=O)O)C8=CC=CC=C8

1 reference

CHEBI:68894 (English)

7 October 2016

isomeric SMILES

C/C=C(/C)\C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@H]1N2C)OC(=O)C3C(C(C3(C)C(=O)O[C@@H]4C[C@@H]5C[C@H](C[C@H]4N5C)O)C(=O)O[C@@H]6C[C@@H]7C[C@H](C[C@H]6N7C)OC(=O)/C=C(\C)/C(=O)O)C8=CC=CC=C8

1 reference

CHEBI:68894 (English)

InChI=1S/C48H63N3O13/c1-8-24(2)44(56)62-36-19-29-17-32(23-35(36)51(29)7)61-45(57)41-40(26-12-10-9-11-13-26)42(48(41,4)47(59)64-38-18-27-15-30(52)21-33(38)49(27)5)46(58)63-37-20-28-16-31(22-34(37)50(28)6)60-39(53)14-25(3)43(54)55/h8-14,27-38,40-42,52H,15-23H2,1-7H3,(H,54,55)/b24-8-,25-14+/t27-,28-,29-,30+,31+,32-,33+,34+,35+,36+,37+,38+,40?,41?,42?,48?/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:68894 (English)

JFDUSOBIQVQCGI-WGXAKPSISA-N

7 October 2016

InChIKey

2 references

CHEBI:68894 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2E)-4-{[(1S,3R,5R,6R)-6-({[2-({[(1S,3R,5R,6R)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-6-yl]oxy}carbonyl)-2-methyl-3-({[(1S,3S,5R,6R)-8-methyl-6-{[(2Z)-2-methyl-2-butenoyl]oxy}-8-azabicyclo[3.2.1]oc (English)

7 October 2016

1 reference