151928-23-3

Structural Information

Molecular Formula

C₁₃₆H₂₀₇N₄₁O₄₆S₇

SMILES

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC2CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC(=O)C4CSSCC(C(=O)NC(C(=O)N5CC(CC5C(=O)N1)O)CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C6CC(CN6C(=O)C(NC(=O)C(NC(=O)C(CSSCC(C(=O)NC(C(=O)NC(C(=O)N4)CO)CCCNC(=N)N)NC2=O)N)CCCCNC(=O)CCCCCNC(=O)CCCCC7C8C(CS7)NC(=O)N8)CO)O)CO)CO)CC(=O)N)O)CC9=CC=C(C=C9)O)C(C)O)CCCCN)CCCNC(=N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)CC(=O)N)CC1=CC=C(C=C1)O)CO)O

InChI

InChI=1S/C136H207N41O46S7/c1-63(184)105-129(218)155-76(14-7-9-33-137)110(199)153-78(17-13-37-149-135(144)145)113(202)166-92(122(211)156-79(108(141)197)38-65-21-27-68(186)28-22-65)59-227-230-62-95-125(214)170-91-58-226-225-56-74(138)109(198)152-75(15-8-11-35-147-102(194)19-4-3-10-34-146-103(195)20-6-5-18-99-107-90(57-224-99)171-136(223)174-107)112(201)164-88(54-182)132(221)175-47-71(189)41-96(175)126(215)150-46-104(196)151-84(50-178)117(206)162-86(52-180)120(209)169-94(124(213)165-89(55-183)133(222)177-49-73(191)43-98(177)128(217)173-106(64(2)185)130(219)163-87(53-181)118(207)157-80(39-66-23-29-69(187)30-24-66)114(203)158-82(44-100(139)192)115(204)167-95)61-229-228-60-93(168-119(208)85(51-179)161-111(200)77(154-121(91)210)16-12-36-148-134(142)143)123(212)160-83(45-101(140)193)131(220)176-48-72(190)42-97(176)127(216)159-81(116(205)172-105)40-67-25-31-70(188)32-26-67/h21-32,63-64,71-99,105-107,178-191H,3-20,33-62,137-138H2,1-2H3,(H2,139,192)(H2,140,193)(H2,141,197)(H,146,195)(H,147,194)(H,150,215)(H,151,196)(H,152,198)(H,153,199)(H,154,210)(H,155,218)(H,156,211)(H,157,207)(H,158,203)(H,159,216)(H,160,212)(H,161,200)(H,162,206)(H,163,219)(H,164,201)(H,165,213)(H,166,202)(H,167,204)(H,168,208)(H,169,209)(H,170,214)(H,172,205)(H,173,217)(H4,142,143,148)(H4,144,145,149)(H2,171,174,223)

InChIKey

QXQAIAJLCHSWQN-UHFFFAOYSA-N

Compound name

68-amino-36-(4-aminobutyl)-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-22,51-bis(2-amino-2-oxoethyl)-33,60-bis(3-carbamimidamidopropyl)-8,47,78-trihydroxy-13,39-bis(1-hydroxyethyl)-4,16,57,74,86,89-hexakis(hydroxymethyl)-19,42-bis[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,32,35,38,41,44,50,53,56,59,62,69,72,75,81,84,87,90,97-pentacosaoxo-71-[4-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]butyl]-27,28,65,66,93,94-hexathia-3,6,12,15,18,21,24,31,34,37,40,43,49,52,55,58,61,70,73,76,82,85,88,91,96-pentacosazahexacyclo[52.37.4.225,63.06,10.045,49.076,80]heptanonacontane-30-carboxamide

Related CIDs

• CID 131848809