InChI :InChI=1/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)58(92)75-42(22-23-50(85)86)57(91)82-53(36(7)10-2)64(98)71-25-16-15-20-40-55(89)73-41(21-17-24-67)56(90)83-54(37(8)11-3)65(99)80-44(27-38-18-13-12-14-19-38)59(93)77-45(28-39-31-70-33-72-39)60(94)79-47(30-51(87)88)62(96)78-46(29-49(68)84)61(95)74-40/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,98)(H,73,89)(H,74,95)(H,75,92)(H,76,97)(H,77,93)(H,78,96)(H,79,94)(H,80,99)(H,82,91)(H,83,90)(H,85,86)(H,87,88)
Std.InChI: InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)58(92)75-42(22-23-50(85)86)57(91)82-53(36(7)10-2)64(98)71-25-16-15-20-40-55(89)73-41(21-17-24-67)56(90)83-54(37(8)11-3)65(99)80-44(27-38-18-13-12-14-19-38)59(93)77-45(28-39-31-70-33-72-39)60(94)79-47(30-51(87)88)62(96)78-46(29-49(68)84)61(95)74-40/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,98)(H,73,89)(H,74,95)(H,75,92)(H,76,97)(H,77,93)(H,78,96)(H,79,94)(H,80,99)(H,82,91)(H,83,90)(H,85,86)(H,87,88)
InChIKey :VRKHYMXTJQCIND-UHFFFAOYAB
Std.InChIKey: VRKHYMXTJQCIND-UHFFFAOYSA-N
SMILES :O=C1NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CCCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2/N=C(\SC2)C(N)C(C)CC)CC(C)C)CCC(=O)O)C(C)CC)CC(=O)N)CC(=O)O)Cc3cncn3)Cc4ccccc4)C(CC)C)CCCN
MDL: MFCD00062640
Molar Refractivity :365.00 ± 0.5 cm3 (est)
Parachor :2761.7 ± 8.0 cm3 (est)
Index of Refraction :1.655 ± 0.05
(est)
Surface Tension :59.4 ± 7.0 dyne/cm (est)
Density :1.43 ± 0.1 g/cm3 (est)
Polarizability :144.70 ± 0.5 10-24cm3 (est)