2,6-bis[2-(2-azanylethoxy)ethoxy]-4-[2-[2-[3-[2-azanylethyl-[2-(6-azanylpurin-1-yl)ethanoyl]amino]propanoylamino]ethoxy]ethoxy]-3,5-bis(oxidanylidene)hexanoic acid

Systemtic Name: 2,6-bis[2-(2-azanylethoxy)ethoxy]-4-[2-[2-[3-[2-azanylethyl-[2-(6-azanylpurin-1-yl)ethanoyl]amino]propanoylamino]ethoxy]ethoxy]-3,5-bis(oxidanylidene)hexanoic acid Openeye Name: 2,6-bis[2-(2-aminoethoxy)ethoxy]-4-[2-[2-[3-[2-aminoethyl-[2-(6-aminopurin-1-yl)acetyl]amino]propanoylamino]ethoxy]ethoxy]-3,5-dioxo-hexanoic acid CAS Name: 2,6-bis[2-(2-aminoethoxy)ethoxy]-4-[2-[2-[[3-[2-aminoethyl-[2-(6-amino-1-purinyl)-1-oxoethyl]amino]-1-oxopropyl]amino]ethoxy]ethoxy]-3,5-dioxohexanoic acid IUPAC Name: 2,6-bis[2-(2-aminoethoxy)ethoxy]-4-[2-[2-[3-[2-aminoethyl-[2-(6-aminopurin-1-yl)acetyl]amino]propanoylamino]ethoxy]ethoxy]-3,5-dioxohexanoic acid Traditional Name: 2,6-bis[2-(2-aminoethoxy)ethoxy]-4-[2-[2-[3-[2-aminoethyl-[2-(6-aminopurin-1-yl)acetyl]amino]propanoylamino]ethoxy]ethoxy]-3,5-diketo-hexanoic acid Formula: C30H50N10O12 MolecularWeight: 742.7778

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N(C=NC2=N1)CC(=O)N(CCC(=O)NCCOCCOC(C(=O)COCCOCCN)C(=O)C(C(=O)O)OCCOCCN)CCN)N

Isomeric SMILES

C1=NC2=C(N(C=NC2=N1)CC(=O)N(CCC(=O)NCCOCCOC(C(=O)COCCOCCN)C(=O)C(C(=O)O)OCCOCCN)CCN)N

InChI

InChI=1S/C30H50N10O12/c31-2-7-39(23(43)17-40-20-38-29-24(28(40)34)36-19-37-29)6-1-22(42)35-5-10-49-14-15-51-26(21(41)18-50-12-11-47-8-3-32)25(44)27(30(45)46)52-16-13-48-9-4-33/h19-20,26-27H,1-18,31-34H2,(H,35,42)(H,45,46)