BDC2.5 mimotope 1040-31 acetate

acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]pentanedioic acid

329696-49-3 (free base)

YVRPLWVRME

InChI=1S/C63H97N17O14S.C2H4O2/c1-33(2)29-46(77-57(89)48-17-12-27-80(48)60(92)44(16-11-26-70-63(67)68)74-59(91)50(34(3)4)78-52(84)40(64)30-36-18-20-38(81)21-19-36)55(87)76-47(31-37-32-71-41-14-9-8-13-39(37)41)56(88)79-51(35(5)6)58(90)73-42(15-10-25-69-62(65)66)53(85)72-43(24-28-95-7)54(86)75-45(61(93)94)22-23-49(82)83;1-2(3)4/h8-9,13-14,18-21,32-35,40,42-48,50-51,71,81H,10-12,15-17,22-31,64H2,1-7H3,(H,72,85)(H,73,90)(H,74,91)(H,75,86)(H,76,87)(H,77,89)(H,78,84)(H,79,88)(H,82,83)(H,93,94)(H4,65,66,69)(H4,67,68,70);1H3,(H,3,4)/t40-,42-,43-,44-,45-,46-,47-,48-,50-,51-;/m0./s1

LSKDGUAKEKENEU-GZIBXPKESA-N

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)C(C(C)C)NC(=O)C(CC4=CC=C(C=C4)O)N.CC(=O)O