Synonyms:
2-((1E,3E)-5-((Z)-1-((5S,8S)-5-benzyl-8-(2-(4-((2-(1-((2-(3,6-bis(5-sulfoindolin-1-yl)xanthylium-9-yl)phenyl)sulfonyl)piperidine-4-carboxamido)ethyl)carbamoyl)-2,3,5,6-tetrafluorophenoxy)acetyl)-3,6,14-trioxo-1-phenyl-2-oxa-4,7,13-triazanonadecan-19-yl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
Appearance:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
Melting point:
Flash point:
Smiles:
O=S(C1=CC2=C([N+](CC)=C(C=CC=CC=C3N(CCCCCC(NCCCC[C@@H](C(COC4=C(F)C(F)=C(C(NCCNC(C5CCN(S(=O)(C6=CC=CC=C6C7=C8C=CC(N9CCC%10=C9C=CC(S(=O)(O)=O)=C%10)=CC8=[O+]C%11=C7C=CC(N%12CCC%13=C%12C=CC(S(=O)(O)=O)=C%13)=C%11)=O)CC5)=O)=O)C(F)=C4F)=O)NC([C@H](CC%14=CC=CC=C%14)NC(OCC%15=CC=CC=C%15)=O)=O)=O)C%16=C(C=C(S(=O)([O-])=O)C=C%16)C3(C)C)C2(C)C)C=C1)([O-])=O
InchiKey:
KDFGXWUMTFTKSD-XYZCXLSZSA-N
Inchi:
InChI=1S/C107H108F4N10O23S5/c1-6-118-86-43-37-75(148(136,137)138)62-80(86)106(2,3)92(118)30-15-9-16-31-93-107(4,5)81-63-76(149(139,140)141)38-44-87(81)121(93)52-22-10-17-32-94(123)112-49-21-20-28-82(115-103(125)83(57-66-23-11-7-12-24-66)116-105(127)143-64-67-25-13-8-14-26-67)88(122)65-142-101-99(110)97(108)96(98(109)100(101)111)104(126)114-51-50-113-102(124)68-45-53-117(54-46-68)145(128,129)91-29-19-18-27-79(91)95-77-39-33-71(119-55-47-69-58-73(146(130,131)132)35-41-84(69)119)60-89(77)144-90-61-72(34-40-78(90)95)120-56-48-70-59-74(147(133,134)135)36-42-85(70)120/h7-9,11-16,18-19,23-27,29-31,33-44,58-63,68,82-83H,6,10,17,20-22,28,32,45-57,64-65H2,1-5H3,(H7-2,112,113,114,115,116,123,124,125,126,127,130,131,132,133,134,135,136,137,138,139,140,141)/t82-,83-/m0/s1
