Cyclo(Arg-Gly-Asp-D-Tyr-Lys)-Cy5.5

Molecular Formula: C63H71N10O20S4-3


InChI: InChI=1/C63H74N10O20S4/c1-6-72-49-31-41-36(25-39(94(82,83)84)29-51(41)96(88,89)90)27-43(49)62(2,3)53(72)16-10-7-11-17-54-63(4,5)44-28-37-26-40(95(85,86)87)30-52(97(91,92)93)42(37)32-50(44)73(54)23-12-8-9-14-46-58(79)69-45(15-13-22-66-61(64)65)57(78)67-34-55(75)68-48(33-56(76)77)60(81)71-47(59(80)70-46)24-35-18-20-38(74)21-19-35/h7,10-11,16-21,25-32,45-48H,6,8-9,12-15,22-24,33-34H2,1-5H3,(H14-,64,65,66,67,68,69,70,71,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93)/p-3/t45-,46-,47+,48-/m0/s1/fC63H71N10O20S4/h67-71,74,76H,64-65H2/q-3

InChIKey: InChIKey=ODWYCZGYEJMLQL-CSQOMWTPDL
SMILES: CCN1C2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C(C1=CC=CC=CC4=[N+](C5=C(C4(C)C)C=C6C=C(C=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])CCCCCC7C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N7)CC8=CC=C(C=C8)O)CC(=O)O)CCCN=C(N)N)(C)C

Names:
    Cyclo(Arg-Gly-Asp-D-Tyr-Lys)-Cy5.5
    Cyclo(RGDyK)-Cy5.5
    c(RGDyK)-Cy5.5

Registries:
    PubChem CID 5716907
    PubChem ID 3288102