779455 logo
canSAR779455
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](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
    InChI
    InChI=1S/C102H156N26O35/c1-14-50(10)81(101(163)128-33-19-23-72(128)100(162)112-53(13)85(147)118-68(42-77(136)137)95(157)125-71(45-80(142)143)98(160)126-70(44-79(140)141)97(159)122-65(38-54-20-16-15-17-21-54)93(155)114-59(28-30-73(104)130)88(150)120-63(36-48(6)7)90(152)113-58(82(106)144)22-18-32-109-102(107)108)127-99(161)66(39-55-24-26-56(129)27-25-55)123-94(156)67(41-74(105)131)117-84(146)52(12)111-89(151)61(34-46(2)3)116-83(145)51(11)110-87(149)60(29-31-75(132)133)115-91(153)64(37-49(8)9)121-96(158)69(43-78(138)139)124-92(154)62(35-47(4)5)119-86(148)57(103)40-76(134)135/h15-17,20-21,24-27,46-53,57-72,81,129H,14,18-19,22-23,28-45,103H2,1-13H3,(H2,104,130)(H2,105,131)(H2,106,144)(H,110,149)(H,111,151)(H,112,162)(H,113,152)(H,114,155)(H,115,153)(H,116,145)(H,117,146)(H,118,147)(H,119,148)(H,120,150)(H,121,158)(H,122,159)(H,123,156)(H,124,154)(H,125,157)(H,126,160)(H,127,161)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H4,107,108,109)/t50-,51+,52+,53+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,81+/m1/s1
    MOLECULAR FORMULA
    C102H156N26O35
    CROSS REFERENCES
    779455 logo

    canSAR779455

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2305.12
    AlogP -8.36
    HBond donors 37
    HBond acceptors 61
    Atoms 319
    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 canSAR779455.