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Amb22729005

Duplicate ID
CAS Number 100016-62-4
SmilesCC(C)C(NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(Cc1c[n]c[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CCC(O)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(NC(=O)C1CSSCC(N)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N1)C(C)C)C(C)O)C(C)O)C(=O)NCC(=O)NC(C)C(=O)NCC(=O)NC(C(C)O)C(=O)N1CCCC1C(N)=O
InchiKeyZLUQVFUSLGBVHE-UHFFFAOYSA-N
InChi InChI=1S/C145H240N42O46S2/c1-66(2)48-89(173-139(228)111(72(13)14)182-136(225)100-64-235-234-63-82(148)119(208)161-74(16)118(207)176-97(60-188)134(223)171-93(52-70(9)10)130(219)178-99(62-190)135(224)185-114(77(19)193)142(231)179-100)120(209)157-58-106(199)162-83(28-21-23-43-146)121(210)168-92(51-69(7)8)129(218)177-98(61-189)133(222)166-86(37-40-103(149)196)123(212)164-88(39-42-108(201)202)124(213)170-91(50-68(5)6)128(217)172-94(54-80-56-154-65-159-80)131(220)163-84(29-22-24-44-147)122(211)169-90(49-67(3)4)127(216)165-87(38-41-104(150)197)126(215)184-113(76(18)192)141(230)175-96(53-79-33-35-81(195)36-34-79)143(232)187-47-27-32-102(187)137(226)167-85(30-25-45-155-145(152)153)125(214)183-112(75(17)191)140(229)174-95(55-109(203)204)132(221)181-110(71(11)12)138(227)158-57-105(198)160-73(15)117(206)156-59-107(200)180-115(78(20)194)144(233)186-46-26-31-101(186)116(151)205/h33-36,56,65-78,82-102,110-115,159,188-195H,21-32,37-55,57-64,146-148H2,1-20H3,(H2,149,196)(H2,150,197)(H2,151,205)(H,156,206)(H,157,209)(H,158,227)(H,160,198)(H,161,208)(H,162,199)(H,163,220)(H,164,212)(H,165,216)(H,166,222)(H,167,226)(H,168,210)(H,169,211)(H,170,213)(H,171,223)(H,172,217)(H,173,228)(H,174,229)(H,175,230)(H,176,207)(H,177,218)(H,178,219)(H,179,231)(H,180,200)(H,181,221)(H,182,225)(H,183,214)(H,184,215)(H,185,224)(H,201,202)(H,203,204)(H4,152,153,155)
Formula C145H240N42O46S2
Molecular weight 3371.84
Rings 5
logP -1.2503
PSA 1469.47
MR 870.03
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