canSAR824414
FEATURES
Loading...
NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
    InChI
    InChI=1S/C154H228N40O47/c1-16-78(10)123(151(239)179-99-45-51-114(203)161-55-27-25-36-94(131(219)165-68-115(204)171-93(126(157)214)38-29-57-163-154(158)159)178-149(237)121(76(6)7)191-142(230)103(59-75(4)5)181-141(229)107(184-137(99)225)63-87-66-164-92-35-24-23-34-90(87)92)193-143(231)105(60-84-30-19-17-20-31-84)182-138(226)101(48-54-119(210)211)176-134(222)95-37-26-28-56-162-113(202)50-44-98(135(223)174-97(43-49-112(156)201)133(221)170-79(11)127(215)168-80(12)128(216)172-95)175-136(224)100(47-53-118(208)209)177-139(227)102(58-74(2)3)180-140(228)104(62-86-39-41-89(200)42-40-86)183-146(234)109(70-195)187-148(236)111(72-197)188-150(238)122(77(8)9)192-145(233)108(65-120(212)213)185-147(235)110(71-196)189-153(241)125(83(15)199)194-144(232)106(61-85-32-21-18-22-33-85)186-152(240)124(82(14)198)190-116(205)69-166-132(220)96(46-52-117(206)207)173-129(217)81(13)169-130(218)91(155)64-88-67-160-73-167-88/h17-24,30-35,39-42,66-67,73-83,91,93-111,121-125,164,195-200H,16,25-29,36-38,43-65,68-72,155H2,1-15H3,(H2,156,201)(H2,157,214)(H,160,167)(H,161,203)(H,162,202)(H,165,219)(H,166,220)(H,168,215)(H,169,218)(H,170,221)(H,171,204)(H,172,216)(H,173,217)(H,174,223)(H,175,224)(H,176,222)(H,177,227)(H,178,237)(H,179,239)(H,180,228)(H,181,229)(H,182,226)(H,183,234)(H,184,225)(H,185,235)(H,186,240)(H,187,236)(H,188,238)(H,189,241)(H,190,205)(H,191,230)(H,192,233)(H,193,231)(H,194,232)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,158,159,163)/t78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,121-,122-,123-,124-,125-/m0/s1
    MOLECULAR FORMULA
    C154H228N40O47
    CROSS REFERENCES
    Loading...
    canSAR824414
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3389.67
    AlogP-13.75
    HBond donors53
    HBond acceptors87
    Atoms469
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824414.