canSAR2080057
FEATURES
Loading...
NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC3=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C1=O
    InChI
    InChI=1S/C174H264N52O47S7/c1-13-89(10)137-171(273)226-59-32-46-127(226)166(268)212-118(73-134(239)240)155(257)208-114(69-128(179)230)151(253)210-116(71-132(235)236)153(255)198-102(41-24-27-54-177)145(247)216-123-81-278-276-79-121(159(261)200-100(39-22-25-52-175)143(245)206-111(65-93-47-49-96(229)50-48-93)157(259)222-135(87(6)7)167(269)203-107(139(181)241)63-91-33-16-14-17-34-91)218-149(251)112(66-94-74-192-99-38-21-20-37-97(94)99)207-154(256)117(72-133(237)238)209-150(252)113(67-95-75-188-84-194-95)213-169(271)138(90(11)228)224-147(249)104(43-29-56-190-173(184)185)199-158(260)119(77-227)214-162(264)124-82-279-280-83-125(164(266)223-137)217-144(246)101(40-23-26-53-176)196-142(244)103(42-28-55-189-172(182)183)197-146(248)105(51-60-274-12)201-148(250)110(64-92-35-18-15-19-36-92)195-130(232)76-193-141(243)108(61-85(2)3)204-161(263)120(215-140(242)98(178)68-131(233)234)78-275-277-80-122(219-163(123)265)160(262)202-106(44-30-57-191-174(186)187)170(272)225-58-31-45-126(225)165(267)211-115(70-129(180)231)152(254)205-109(62-86(4)5)156(258)221-136(88(8)9)168(270)220-124/h14-21,33-38,47-50,74-75,84-90,98,100-127,135-138,192,227-229H,13,22-32,39-46,51-73,76-83,175-178H2,1-12H3,(H2,179,230)(H2,180,231)(H2,181,241)(H,188,194)(H,193,243)(H,195,232)(H,196,244)(H,197,248)(H,198,255)(H,199,260)(H,200,261)(H,201,250)(H,202,262)(H,203,269)(H,204,263)(H,205,254)(H,206,245)(H,207,256)(H,208,257)(H,209,252)(H,210,253)(H,211,267)(H,212,268)(H,213,271)(H,214,264)(H,215,242)(H,216,247)(H,217,246)(H,218,251)(H,219,265)(H,220,270)(H,221,258)(H,222,259)(H,223,266)(H,224,249)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H4,182,183,189)(H4,184,185,190)(H4,186,187,191)/t89-,90+,98-,100-,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-,135-,136-,137-,138-/m0/s1
    MOLECULAR FORMULA
    C174H264N52O47S7
    CROSS REFERENCES
    Loading...
    canSAR2080057
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight4057.79
    AlogP-13.85
    HBond donors66
    HBond acceptors99
    Atoms544
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080057.