L-alpha-Aspartyl-L-alanyl-L-alpha-glutamyl-L-phenylalanyl-L-arginyl-L-histidyl-L-alpha-aspartyl-L-serylglycyl-L-tyrosyl-L-alpha-glutamyl-L-valine trifluoroacetate (1:1) | CAS No. 142047-91-4

FC(C(=O)O)(F)F.O=C([C@H](CCC/N=C(\N)/N)NC([C@H](CC1C=CC=CC=1)NC([C@H](CCC(=O)O)NC([C@H](C)NC([C@H](CC(=O)O)N)=O)=O)=O)=O)N[C@H](C(N[C@H](C(N[C@@H](CO)C(NCC(N[C@@H](CC1C=CC(=CC=1)O)C(N[C@H](C(N[C@H](C(=O)O)C(C)C)=O)CCC(=O)O)=O)=O)=O)=O)CC(=O)O)=O)CC1=CN=CN1

InChI

1S/C61H85N17O23.C2HF3O2/c1-29(2)49(60(100)101)78-55(95)38(16-18-46(84)85)73-56(96)39(21-32-11-13-34(80)14-12-32)70-44(81)26-67-52(92)43(27-79)77-59(99)42(24-48(88)89)76-58(98)41(22-33-25-65-28-68-33)75-53(93)36(10-7-19-66-61(63)64)72-57(97)40(20-31-8-5-4-6-9-31)74-54(94)37(15-17-45(82)83)71-50(90)30(3)69-51(91)35(62)23-47(86)87;3-2(4,5)1(6)7/h4-6,8-9,11-14,25,28-30,35-43,49,79-80H,7,10,15-24,26-27,62H2,1-3H3,(H,65,68)(H,67,92)(H,69,91)(H,70,81)(H,71,90)(H,72,97)(H,73,96)(H,74,94)(H,75,93)(H,76,98)(H,77,99)(H,78,95)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,100,101)(H4,63,64,66);(H,6,7)/t30-,35-,36-,37-,38-,39-,40-,41-,42-,43-,49-;/m0./s1

InChIKey

SINJZDBTBHYMDB-YKAPFYSSSA-N

LogP

-6.446599999999997

Topological Polar Surface Area

703.4600000000002 Ų

Hydrogen Bond Donor/Acceptor

26 / 42

Complexity

3010