837677 logo
canSAR837677
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
    InChI
    InChI=1S/C124H214N44O35S/c1-19-63(12)96(165-114(196)81(47-62(10)11)164-119(201)97(68(17)171)166-102(184)70(125)36-42-204-18)118(200)144-51-92(176)146-64(13)99(181)147-65(14)101(183)158-82(48-69-50-137-57-145-69)113(195)163-83(49-91(129)175)104(186)142-53-94(178)151-84(55-169)115(197)148-66(15)100(182)154-75(31-34-89(127)173)107(189)161-80(46-61(8)9)112(194)162-79(45-60(6)7)111(193)156-73(27-22-39-140-124(135)136)105(187)157-76(32-35-90(128)174)108(190)160-78(44-59(4)5)110(192)155-72(26-21-38-139-123(133)134)103(185)141-52-93(177)150-74(30-33-88(126)172)106(188)159-77(43-58(2)3)109(191)149-67(16)120(202)168-41-24-29-87(168)121(203)167-40-23-28-86(167)117(199)143-54-95(179)152-85(56-170)116(198)153-71(98(130)180)25-20-37-138-122(131)132/h50,57-68,70-87,96-97,169-171H,19-49,51-56,125H2,1-18H3,(H2,126,172)(H2,127,173)(H2,128,174)(H2,129,175)(H2,130,180)(H,137,145)(H,141,185)(H,142,186)(H,143,199)(H,144,200)(H,146,176)(H,147,181)(H,148,197)(H,149,191)(H,150,177)(H,151,178)(H,152,179)(H,153,198)(H,154,182)(H,155,192)(H,156,193)(H,157,187)(H,158,183)(H,159,188)(H,160,190)(H,161,189)(H,162,194)(H,163,195)(H,164,201)(H,165,196)(H,166,184)(H4,131,132,138)(H4,133,134,139)(H4,135,136,140)/t63-,64-,65-,66-,67+,68+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,96-,97-/m0/s1
    MOLECULAR FORMULA
    C124H214N44O35S
    CROSS REFERENCES
    837677 logo

    canSAR837677

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2911.60
    AlogP -17.30
    HBond donors 53
    HBond acceptors 79
    Atoms 418
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR837677.