canSAR85594
FEATURES
Loading...
NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O)C(C)C
    InChI
    InChI=1S/C146H225N39O44S3/c1-17-72(8)114(138(221)158-64-110(199)177-113(71(6)7)137(220)157-61-108(197)160-74(10)144(227)184-48-27-35-102(184)121(153)204)179-122(205)73(9)161-139(222)117(77(13)189)180-127(210)88(42-44-105(150)194)166-136(219)103-36-28-49-185(103)145(228)97(55-81-31-22-19-23-32-81)174-140(223)115(75(11)187)163-98(56-83-60-154-68-159-83)146(229)183-47-26-34-101(183)120(203)86(33-24-25-46-147)164-131(214)95(58-107(152)196)171-129(212)92(53-80-29-20-18-21-30-80)170-132(215)96(59-112(201)202)172-125(208)87(41-43-104(149)193)167-142(225)118(78(14)190)181-133(216)93(54-82-37-39-84(192)40-38-82)173-141(224)116(76(12)188)178-111(200)63-156-124(207)90(51-69(2)3)168-126(209)89(45-50-232-16)165-135(218)100(67-231)176-143(226)119(79(15)191)182-134(217)99(65-186)175-128(211)91(52-70(4)5)169-130(213)94(57-106(151)195)162-109(198)62-155-123(206)85(148)66-230/h18-23,29-32,37-40,60,68-79,85-103,113-119,163,186-192,230-231H,17,24-28,33-36,41-59,61-67,147-148H2,1-16H3,(H2,149,193)(H2,150,194)(H2,151,195)(H2,152,196)(H2,153,204)(H,154,159)(H,155,206)(H,156,207)(H,157,220)(H,158,221)(H,160,197)(H,161,222)(H,162,198)(H,164,214)(H,165,218)(H,166,219)(H,167,225)(H,168,209)(H,169,213)(H,170,215)(H,171,212)(H,172,208)(H,173,224)(H,174,223)(H,175,211)(H,176,226)(H,177,199)(H,178,200)(H,179,205)(H,180,210)(H,181,216)(H,182,217)(H,201,202)/t72-,73-,74-,75+,76+,77+,78+,79+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98?,99-,100-,101?,102+,103+,113-,114-,115-,116-,117-,118-,119-/m0/s1
    MOLECULAR FORMULA
    C146H225N39O44S3
    CROSS REFERENCES
    Loading...
    canSAR85594
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3324.57
    AlogP-16.57
    HBond donors50
    HBond acceptors83
    Atoms457
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR85594.