(dap22)-shk

Structural Information

Molecular Formula

C₁₆₆H₂₆₈N₅₄O₄₈S₇

SMILES

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC3CSSCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CC5=CC=CC=C5)CO)CC(C)C)CCCNC(=N)N)CC6=CC=C(C=C6)O)CN)CCSC)CO)CC7=CNC=N7)CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)C(C)O)C)CC8=CC=CC=C8)CCC(=O)N)C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)N)C(=O)O)C(C)O)C(C)O)CCCCN)CCCNC(=N)N)CCCNC(=N)N)CO)CCCCN)C(C)CC)C(C)O)CC(=O)O

InChI

InChI=1S/C166H268N54O48S7/c1-13-81(5)123-156(261)202-107(65-122(232)233)145(250)218-128(87(11)228)160(265)216-124(82(6)14-2)161(266)220-58-31-43-119(220)155(260)196-95(38-22-25-52-168)135(240)205-110(70-222)147(252)191-99(42-30-57-185-166(179)180)136(241)209-117-77-273-272-75-115-152(257)193-97(40-28-55-183-164(175)176)132(237)189-96(39-23-26-53-169)139(244)217-127(86(10)227)159(264)212-113(131(236)186-68-121(231)214-125(84(8)225)158(263)213-118(162(267)268)78-275-274-76-116(153(258)215-123)211-150(255)109(69-221)204-130(235)93(171)36-27-54-182-163(173)174)73-270-271-74-114(208-137(242)100(48-49-120(172)230)194-141(246)103(61-88-32-17-15-18-33-88)197-129(234)83(7)188-157(262)126(85(9)226)219-154(117)259)151(256)192-94(37-21-24-51-167)133(238)201-106(64-91-67-181-79-187-91)144(249)207-111(71-223)148(253)195-101(50-59-269-12)138(243)203-108(66-170)146(251)199-105(63-90-44-46-92(229)47-45-90)142(247)190-98(41-29-56-184-165(177)178)134(239)198-102(60-80(3)4)140(245)206-112(72-224)149(254)200-104(143(248)210-115)62-89-34-19-16-20-35-89/h15-20,32-35,44-47,67,79-87,93-119,123-128,221-229H,13-14,21-31,36-43,48-66,68-78,167-171H2,1-12H3,(H2,172,230)(H,181,187)(H,186,236)(H,188,262)(H,189,237)(H,190,247)(H,191,252)(H,192,256)(H,193,257)(H,194,246)(H,195,253)(H,196,260)(H,197,234)(H,198,239)(H,199,251)(H,200,254)(H,201,238)(H,202,261)(H,203,243)(H,204,235)(H,205,240)(H,206,245)(H,207,249)(H,208,242)(H,209,241)(H,210,248)(H,211,255)(H,212,264)(H,213,263)(H,214,231)(H,215,258)(H,216,265)(H,217,244)(H,218,250)(H,219,259)(H,232,233)(H,267,268)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)

InChIKey

PFWOJTLVNOZSGQ-UHFFFAOYSA-N

Compound name

10,51,87-tris(4-aminobutyl)-31-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]-3-hydroxypropanoyl]amino]-75-(aminomethyl)-93-(3-amino-3-oxopropyl)-60,96-dibenzyl-19,28-di(butan-2-yl)-4,54,69-tris(3-carbamimidamidopropyl)-25-(carboxymethyl)-2a,22,39,48-tetrakis(1-hydroxyethyl)-7,63,81-tris(hydroxymethyl)-72-[(4-hydroxyphenyl)methyl]-84-(1H-imidazol-4-ylmethyl)-99-methyl-66-(2-methylpropyl)-78-(2-methylsulfanylethyl)-1a,3,4a,6,9,12,18,21,24,27,30,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-dotriacontaoxo-6a,7a,10a,11a,33,34-hexathia-a,2,3a,5,8,11,17,20,23,26,29,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-dotriacontazatetracyclo[55.47.4.445,90.013,17]dodecahectane-36-carboxylic acid

Related CIDs

• CID 90488816