L-alpha-Aspartyl-L-valyl-L-prolyl-L-lysyl-L-seryl-L-alpha-aspartyl-L-alpha-glutamyl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-methioninamide（CAS番号：63968-82-1）

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C59H94N14O19S/c1-30(2)24-38(53(86)65-35(49(62)82)20-23-93-7)64-43(75)28-63-58(91)47(31(3)4)71-55(88)39(25-33-14-9-8-10-15-33)68-52(85)37(18-19-44(76)77)66-54(87)40(27-46(80)81)69-56(89)41(29-74)70-51(84)36(16-11-12-21-60)67-57(90)42-17-13-22-73(42)59(92)48(32(5)6)72-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,74H,11-13,16-29,60-61H2,1-7H3,(H2,62,82)(H,63,91)(H,64,75)(H,65,86)(H,66,87)(H,67,90)(H,68,85)(H,69,89)(H,70,84)(H,71,88)(H,72,83)(H,76,77)(H,78,79)(H,80,81)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,47-,48-/m0/s1

InChIKey

GDBREXONAMPGBA-FJCMUPJRSA-N

LogP

-4.441200000000004

トポロジカル極性表面積

538.5699999999998 Ų

水素結合ドナー/アクセプター

20 / 33

複雑度

2590