canSAR2064756
FEATURES
Loading...
NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O
    InChI
    InChI=1S/C161H233N39O40/c1-12-88(10)135(159(238)177-89(11)136(215)189-115(70-84(2)3)149(228)187-110(53-61-129(169)205)145(224)191-118(73-87(8)9)152(231)199-125(160(239)240)80-134(213)214)200-148(227)111(54-62-130(170)206)188-154(233)119(74-90-32-15-13-16-33-90)195-158(237)124(79-95-83-176-103-42-24-21-38-99(95)103)197-140(219)106(45-27-30-68-164)181-156(235)122(77-93-81-174-101-40-22-19-36-97(93)101)198-155(234)120(75-91-34-17-14-18-35-91)193-147(226)114(57-65-133(211)212)184-143(222)109(52-60-128(168)204)186-150(229)116(71-85(4)5)192-157(236)123(78-94-82-175-102-41-23-20-37-98(94)102)196-139(218)105(44-26-29-67-163)179-138(217)104(43-25-28-66-162)180-153(232)121(76-92-46-48-96(201)49-47-92)194-151(230)117(72-86(6)7)190-146(225)113(56-64-132(209)210)185-144(223)112(55-63-131(207)208)183-142(221)108(51-59-127(167)203)182-141(220)107(50-58-126(166)202)178-137(216)100(165)39-31-69-173-161(171)172/h13-24,32-38,40-42,46-49,81-89,100,104-125,135,174-176,201H,12,25-31,39,43-45,50-80,162-165H2,1-11H3,(H2,166,202)(H2,167,203)(H2,168,204)(H2,169,205)(H2,170,206)(H,177,238)(H,178,216)(H,179,217)(H,180,232)(H,181,235)(H,182,220)(H,183,221)(H,184,222)(H,185,223)(H,186,229)(H,187,228)(H,188,233)(H,189,215)(H,190,225)(H,191,224)(H,192,236)(H,193,226)(H,194,230)(H,195,237)(H,196,218)(H,197,219)(H,198,234)(H,199,231)(H,200,227)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,239,240)(H4,171,172,173)/t88-,89-,100-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,135-/m0/s1
    MOLECULAR FORMULA
    C161H233N39O40
    CROSS REFERENCES
    Loading...
    canSAR2064756
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3352.74
    AlogP-4.06
    HBond donors55
    HBond acceptors79
    Atoms473
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2064756.