canSAR2096477
FEATURES
Loading...
NAMES
    SMILES
    CSCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@H](C(=O)N[C@@H](Cc4ccccc4)C(N)=O)C(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC2=O
    InChI
    InChI=1S/C174H267N53O46S7/c1-86(2)63-110-141(243)194-77-131(234)196-112(66-93-35-16-13-17-36-93)149(251)203-107(52-62-274-11)147(249)198-105(43-28-57-190-172(183)184)142(244)197-103(41-22-26-55-177)145(247)218-126-84-280-279-83-125-162(264)215-120(78-228)158(260)201-106(44-29-58-191-173(185)186)148(250)224-137(90(9)229)169(271)214-115(69-96-76-189-85-195-96)151(253)199-101(39-20-24-53-175)144(246)209-114(68-95-75-193-100-38-19-18-37-98(95)100)150(252)219-122(159(261)202-102(40-21-25-54-176)143(245)208-113(67-94-48-50-97(231)51-49-94)157(259)223-135(88(5)6)167(269)205-109(139(182)241)65-92-33-14-12-15-34-92)80-276-278-82-124(217-146(248)104(42-23-27-56-178)200-154(256)118(73-133(237)238)211-152(254)116(71-129(180)232)210-155(257)119(74-134(239)240)213-166(268)128-47-32-61-227(128)171(273)138(91(10)230)225-164(126)266)163(265)220-123(81-277-275-79-121(161(263)206-110)216-140(242)99(179)70-132(235)236)160(262)204-108(45-30-59-192-174(187)188)170(272)226-60-31-46-127(226)165(267)212-117(72-130(181)233)153(255)207-111(64-87(3)4)156(258)222-136(89(7)8)168(270)221-125/h12-19,33-38,48-51,75-76,85-91,99,101-128,135-138,193,228-231H,20-32,39-47,52-74,77-84,175-179H2,1-11H3,(H2,180,232)(H2,181,233)(H2,182,241)(H,189,195)(H,194,243)(H,196,234)(H,197,244)(H,198,249)(H,199,253)(H,200,256)(H,201,260)(H,202,261)(H,203,251)(H,204,262)(H,205,269)(H,206,263)(H,207,255)(H,208,245)(H,209,246)(H,210,257)(H,211,254)(H,212,267)(H,213,268)(H,214,271)(H,215,264)(H,216,242)(H,217,248)(H,218,247)(H,219,252)(H,220,265)(H,221,270)(H,222,258)(H,223,259)(H,224,250)(H,225,266)(H,235,236)(H,237,238)(H,239,240)(H4,183,184,190)(H4,185,186,191)(H4,187,188,192)/t90-,91-,99+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,135+,136+,137+,138+/m1/s1
    MOLECULAR FORMULA
    C174H267N53O46S7
    CROSS REFERENCES
    Loading...
    canSAR2096477
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight4058.82
    AlogP-14.86
    HBond donors68
    HBond acceptors99
    Atoms547
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096477.