(Q27134775)

(11E,13E,15E,21Z)-20,26-dihydroxy-10-methoxy-19,21-dimethyl-3,8-dioxo-3,4,7,8,9,10,17,18,19,20,23,24-dodecahydro-2H-25,6-(metheno)[1,4]thiazino[3,2-d]azacyclotricosin-18-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

7 October 2016

chemical formula

C₃₉H₄₉N₃O₈S

1 reference

(11E,13E,15E,21Z)-20,26-dihydroxy-10-methoxy-19,21-dimethyl-3,8-dioxo-3,4,7,8,9,10,17,18,19,20,23,24-dodecahydro-2H-25,6-(metheno)[1,4]thiazino[3,2-d]azacyclotricosin-18-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

7 October 2016

canonical SMILES

CC1C(CC=CC=CC=CC(CC(=O)NC2=CC3=C(C(=C2O)CCC=C(C1O)C)SCC(=O)N3)OC)OC(=O)C4(CC4)NC(=O)C5=CCCCC5

1 reference

(11E,13E,15E,21Z)-20,26-dihydroxy-10-methoxy-19,21-dimethyl-3,8-dioxo-3,4,7,8,9,10,17,18,19,20,23,24-dodecahydro-2H-25,6-(metheno)[1,4]thiazino[3,2-d]azacyclotricosin-18-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

7 October 2016

isomeric SMILES

CC1C(C/C=C/C=C/C=C/C(CC(=O)NC2=CC3=C(C(=C2O)CC/C=C(\C1O)/C)SCC(=O)N3)OC)OC(=O)C4(CC4)NC(=O)C5=CCCCC5

1 reference

(11E,13E,15E,21Z)-20,26-dihydroxy-10-methoxy-19,21-dimethyl-3,8-dioxo-3,4,7,8,9,10,17,18,19,20,23,24-dodecahydro-2H-25,6-(metheno)[1,4]thiazino[3,2-d]azacyclotricosin-18-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

InChI=1S/C39H49N3O8S/c1-24-13-12-17-28-35(46)29(22-30-36(28)51-23-33(44)41-30)40-32(43)21-27(49-3)16-10-5-4-6-11-18-31(25(2)34(24)45)50-38(48)39(19-20-39)42-37(47)26-14-8-7-9-15-26/h4-6,10-11,13-14,16,22,25,27,31,34,45-46H,7-9,12,15,17-21,23H2,1-3H3,(H,40,43)(H,41,44)(H,42,47)/b5-4+,11-6+,16-10+,24-13-

7 October 2016

Identifiers

InChI

1 reference

(11E,13E,15E,21Z)-20,26-dihydroxy-10-methoxy-19,21-dimethyl-3,8-dioxo-3,4,7,8,9,10,17,18,19,20,23,24-dodecahydro-2H-25,6-(metheno)[1,4]thiazino[3,2-d]azacyclotricosin-18-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

YIMYDHUFVYSTEY-WUWQZELJSA-N

7 October 2016

InChIKey

2 references

(11E,13E,15E,21Z)-20,26-dihydroxy-10-methoxy-19,21-dimethyl-3,8-dioxo-3,4,7,8,9,10,17,18,19,20,23,24-dodecahydro-2H-25,6-(metheno)[1,4]thiazino[3,2-d]azacyclotricosin-18-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(6E,8E,10E,16Z)-15,28-Dihydroxy-5-methoxy-14,16-dimethyl-3,24-dioxo-22-thia-2,25-diazatricyclo[18.7.1.0~21,26~]octacosa-1(28),6,8,10,16,20,26-heptaen-13-yl 1-[(1-cyclohexen-1-ylcarbonyl)amino]cyclopro (English)

7 October 2016

2 references

(11E,13E,15E,21Z)-20,26-dihydroxy-10-methoxy-19,21-dimethyl-3,8-dioxo-3,4,7,8,9,10,17,18,19,20,23,24-dodecahydro-2H-25,6-(metheno)[1,4]thiazino[3,2-d]azacyclotricosin-18-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)