(Q27134774)

(10E,12E,14E,20Z)-19,26-dihydroxy-9-methoxy-18,20-dimethyl-2,7-dioxo-2,3,6,7,8,9,16,17,18,19,22,23-dodecahydro-1H-5,24-(metheno)[1,4]thiazino[2,3-c]azacyclotricosin-17-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

7 October 2016

chemical formula

C₃₉H₄₉N₃O₈S

1 reference

(10E,12E,14E,20Z)-19,26-dihydroxy-9-methoxy-18,20-dimethyl-2,7-dioxo-2,3,6,7,8,9,16,17,18,19,22,23-dodecahydro-1H-5,24-(metheno)[1,4]thiazino[2,3-c]azacyclotricosin-17-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

7 October 2016

canonical SMILES

CC1C(CC=CC=CC=CC(CC(=O)NC2=C(C(=CC3=C2SCC(=O)N3)CCC=C(C1O)C)O)OC)OC(=O)C4(CC4)NC(=O)C5=CCCCC5

1 reference

(10E,12E,14E,20Z)-19,26-dihydroxy-9-methoxy-18,20-dimethyl-2,7-dioxo-2,3,6,7,8,9,16,17,18,19,22,23-dodecahydro-1H-5,24-(metheno)[1,4]thiazino[2,3-c]azacyclotricosin-17-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=C(C(=CC3=C2SCC(=O)N3)CC/C=C(\C1O)/C)O)OC)OC(=O)C4(CC4)NC(=O)C5=CCCCC5

1 reference

(10E,12E,14E,20Z)-19,26-dihydroxy-9-methoxy-18,20-dimethyl-2,7-dioxo-2,3,6,7,8,9,16,17,18,19,22,23-dodecahydro-1H-5,24-(metheno)[1,4]thiazino[2,3-c]azacyclotricosin-17-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

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

7 October 2016

Identifiers

InChI

1 reference

(10E,12E,14E,20Z)-19,26-dihydroxy-9-methoxy-18,20-dimethyl-2,7-dioxo-2,3,6,7,8,9,16,17,18,19,22,23-dodecahydro-1H-5,24-(metheno)[1,4]thiazino[2,3-c]azacyclotricosin-17-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

DLJPEMIJOQUTRD-KLLBSFIHSA-N

7 October 2016

InChIKey

2 references

(10E,12E,14E,20Z)-19,26-dihydroxy-9-methoxy-18,20-dimethyl-2,7-dioxo-2,3,6,7,8,9,16,17,18,19,22,23-dodecahydro-1H-5,24-(metheno)[1,4]thiazino[2,3-c]azacyclotricosin-17-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(4Z,10E,12E,14E)-6,28-Dihydroxy-16-methoxy-5,7-dimethyl-18,24-dioxo-22-thia-19,25-diazatricyclo[18.7.1.0~21,26~]octacosa-1(28),4,10,12,14,20,26-heptaen-8-yl 1-[(1-cyclohexen-1-ylcarbonyl)amino]cyclopr (English)

7 October 2016

2 references

(10E,12E,14E,20Z)-19,26-dihydroxy-9-methoxy-18,20-dimethyl-2,7-dioxo-2,3,6,7,8,9,16,17,18,19,22,23-dodecahydro-1H-5,24-(metheno)[1,4]thiazino[2,3-c]azacyclotricosin-17-yl 1-[(cyclohex-1-en-1-ylcarbonyl)amino]cyclopropanecarboxylate (English)