Dig-Cy5 (Q27139936)

digoxigenylated Cy5 (English)

retrieved

7 October 2016

isomeric SMILES

CCN1C(C(C2=C1C=CC(=C2)S(=O)(=O)O)(C)C)/C=C/C=C/C=C\3/C(C4=C(N3CCCCCC(=O)NCCNC(=O)CO[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6C[C@H]([C@]8([C@@]7(CC[C@@H]8C9=CC(=O)OC9)O)C)O)C)C=CC(=C4)S(=O)(=O)O)(C)C

1 reference

InChI=1S/C60H82N4O13S2/c1-8-63-48-22-19-41(78(70,71)72)33-46(48)56(2,3)50(63)15-11-9-12-16-51-57(4,5)47-34-42(79(73,74)75)20-23-49(47)64(51)30-14-10-13-17-53(66)61-28-29-62-54(67)37-76-40-24-26-58(6)39(32-40)18-21-44-45(58)35-52(65)59(7)43(25-27-60(44,59)69)38-31-55(68)77-36-38/h9,11-12,15-16,19-20,22-23,31,33-34,39-40,43-45,50,52,65,69H,8,10,13-14,17-18,21,24-30,32,35-37H2,1-7H3,(H,61,66)(H,62,67)(H,70,71,72)(H,73,74,75)/b12-9+,15-11+,51-16-/t39-,40+,43-,44-,45+,50?,52-,58+,59+,60+/m1/s1

digoxigenylated Cy5 (English)

retrieved

7 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

OIGBGGFDMZZJOF-WNOAWAAYSA-N

2 references

digoxigenylated Cy5 (English)

retrieved

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,5beta,12beta)-3-[2-({2-[(6-{(2Z)-2-[(2E,4E)-5-(1-Ethyl-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-yl)-2,4-pentadien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoyl)amino]eth (English)

7 October 2016

1 reference