canSAR1631873
FEATURES
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NAMES
    SMILES
    CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O
    InChI
    InChI=1S/C129H206N40O36S2/c1-14-64(6)100(122(202)165-90(60-96(132)177)116(196)155-83(46-54-207-13)113(193)161-87(56-63(4)5)118(198)167-101(69(11)171)123(203)158-84(24-18-50-146-129(141)142)124(204)168-51-19-25-92(168)120(200)156-78(23-17-49-145-128(139)140)108(188)159-85(102(134)182)57-70-27-33-73(172)34-28-70)166-119(199)89(59-72-31-37-75(174)38-32-72)164-109(189)77(22-16-48-144-127(137)138)151-107(187)76(21-15-47-143-126(135)136)152-115(195)86(55-62(2)3)162-117(197)91(61-98(180)181)160-105(185)66(8)147-103(183)65(7)149-114(194)88(58-71-29-35-74(173)36-30-71)163-112(192)79(39-42-94(130)175)150-104(184)67(9)148-106(186)82(45-53-206-12)154-110(190)80(40-43-95(131)176)153-111(191)81(41-44-97(178)179)157-121(201)93-26-20-52-169(93)125(205)99(133)68(10)170/h27-38,62-69,76-93,99-101,170-174H,14-26,39-61,133H2,1-13H3,(H2,130,175)(H2,131,176)(H2,132,177)(H2,134,182)(H,147,183)(H,148,186)(H,149,194)(H,150,184)(H,151,187)(H,152,195)(H,153,191)(H,154,190)(H,155,196)(H,156,200)(H,157,201)(H,158,203)(H,159,188)(H,160,185)(H,161,193)(H,162,197)(H,163,192)(H,164,189)(H,165,202)(H,166,199)(H,167,198)(H,178,179)(H,180,181)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)(H4,141,142,146)/p+2/t64?,65-,66-,67-,68?,69+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-/m0/s1
    MOLECULAR FORMULA
    C129H208N40O36S2+2
    CROSS REFERENCES
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    canSAR1631873
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2957.51
    AlogP-16.30
    HBond donors56
    HBond acceptors76
    Atoms415
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631873.