Tricyclon A
FEATURES
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NAMES
  • Tricyclon A
SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc5ccccc5)NC1=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC3=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N2
InChI
InChI=1S/C149H211N37O48S6/c1-11-73(6)119-145(230)173-95(49-79-26-16-13-17-27-79)135(220)172-99(54-118(207)208)137(222)177-102-65-235-237-67-104-141(226)176-101(64-188)139(224)178-103-66-236-238-69-106(180-140(225)100(63-187)175-132(217)90(41-43-117(205)206)162-111(198)59-159-128(102)213)143(228)169-94(48-78-24-14-12-15-25-78)134(219)166-91(46-71(2)3)125(210)157-61-114(201)184-121(75(8)190)147(232)181-107(144(229)170-96(51-81-34-38-84(194)39-35-81)138(223)186-123(77(10)192)148(233)165-87(30-20-22-44-150)124(209)156-60-112(199)163-104)70-240-239-68-105(179-133(218)92(47-72(4)5)167-130(215)88(31-21-23-45-151)164-136(221)97(52-82-55-153-86-29-19-18-28-85(82)86)171-131(216)89(40-42-116(203)204)161-110(197)58-160-129(103)214)142(227)168-93(50-80-32-36-83(193)37-33-80)126(211)158-62-115(202)183-120(74(7)189)146(231)174-98(53-108(152)195)127(212)155-56-109(196)154-57-113(200)182-122(76(9)191)149(234)185-119/h12-19,24-29,32-39,55,71-77,87-107,119-123,153,187-194H,11,20-23,30-31,40-54,56-70,150-151H2,1-10H3,(H2,152,195)(H,154,196)(H,155,212)(H,156,209)(H,157,210)(H,158,211)(H,159,213)(H,160,214)(H,161,197)(H,162,198)(H,163,199)(H,164,221)(H,165,233)(H,166,219)(H,167,215)(H,168,227)(H,169,228)(H,170,229)(H,171,216)(H,172,220)(H,173,230)(H,174,231)(H,175,217)(H,176,226)(H,177,222)(H,178,224)(H,179,218)(H,180,225)(H,181,232)(H,182,200)(H,183,202)(H,184,201)(H,185,234)(H,186,223)(H,203,204)(H,205,206)(H,207,208)/t73-,74+,75+,76+,77+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98+,99-,100-,101-,102-,103-,104-,105-,106-,107-,119-,120-,121-,122-,123-/m0/s1
MOLECULAR FORMULA
C149H211N37O48S6
CROSS REFERENCES
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Tricyclon A
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight3478.35
AlogP-15.31
HBond donors51
HBond acceptors85
Atoms451
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Tricyclon A.