DABCYL-GLY-LEU-ARG-THR-GLN-SER-PHE-SER-EDANS

145682-87-7

MFCD00153950

C65 H87 N17 O16 S

1394.57

InChI=1S/C65H87N17O16S/c1-37(2)32-49(73-55(87)34-72-57(88)40-19-21-41(22-20-40)80-81-42-23-25-43(26-24-42)82(4)5)61(92)74-47(17-11-29-71-65(67)68)60(91)79-56(38(3)85)64(95)75-48(27-28-54(66)86)59(90)78-52(36-84)63(94)76-50(33-39-12-7-6-8-13-39)62(93)77-51(35-83)58(89)70-31-30-69-46-16-9-15-45-44(46)14-10-18-53(45)99(96,97)98/h6-10,12-16,18-26,37-38,47-52,56,69,83-85H,11,17,27-36H2,1-5H3,(H2,66,86)(H,70,89)(H,72,88)(H,73,87)(H,74,92)(H,75,95)(H,76,94)(H,77,93)(H,78,90)(H,79,91)(H4,67,68,71)(H,96,97,98)/b81-80+/t38-,47+,48+,49+,50+,51+,52+,56+/m1/s1

InChIKey=YZRDOCLVPQYVOE-NQVGCUBESA-N

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCCNc2cccc3c2cccc3S(=O)(=O)O)NC(=O)CNC(=O)c4ccc(cc4)/N=N/c5ccc(cc5)N(C)C

pro_donors:18

pro_acceptors:33

XLogP3:-6.0

Bulk/Fine:F