L-Asparaginyl-L-phenylalanyl-L-alpha-aspartyl-L-alpha-glutamyl-L-isoleucyl-L-alpha-aspartyl-L-arginyl-L-serylglycyl-L-phenylalanylglycyl-L-phenylalanyl-L-asparagine（CAS番号：145344-97-4）

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C67H92N18O23/c1-3-34(2)55(85-60(101)40(21-22-52(91)92)79-63(104)44(29-53(93)94)81-62(103)43(26-37-18-11-6-12-19-37)80-56(97)38(68)27-48(69)87)65(106)82-45(30-54(95)96)64(105)78-39(20-13-23-73-67(71)72)59(100)84-47(33-86)58(99)75-32-50(89)76-41(24-35-14-7-4-8-15-35)57(98)74-31-51(90)77-42(25-36-16-9-5-10-17-36)61(102)83-46(66(107)108)28-49(70)88/h4-12,14-19,34,38-47,55,86H,3,13,20-33,68H2,1-2H3,(H2,69,87)(H2,70,88)(H,74,98)(H,75,99)(H,76,89)(H,77,90)(H,78,105)(H,79,104)(H,80,97)(H,81,103)(H,82,106)(H,83,102)(H,84,100)(H,85,101)(H,91,92)(H,93,94)(H,95,96)(H,107,108)(H4,71,72,73)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,55-/m0/s1

InChIKey

WJRVDOCLWHOQOK-SQJOKQRMSA-N

LogP

-7.926529999999989

トポロジカル極性表面積

692.7299999999999 Ų

水素結合ドナー/アクセプター

27 / 41

複雑度

3160