2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]-2-oxo-ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]-2-oxoethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-oxoethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]-2-keto-ethyl]amino]ethyl]amino]acetic acid Formula: C24H34N8O13 MolecularWeight: 642.57256

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChI

InChI=1S/C24H34N8O13/c33-10-13-20(43)21(44)24(45-13)32-12-27-19-22(25-11-26-23(19)32)28-14(34)5-30(7-16(37)38)3-1-29(6-15(35)36)2-4-31(8-17(39)40)9-18(41)42/h11-13,20-21,24,33,43-44H,1-10H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,25,26,28,34)/t13-,20-,21-,24-/m1/s1