2-[2-azanylethyl-[2-[6-(phenylmethoxycarbonylamino)purin-9-yl]ethanoyl]amino]ethanoic acid

Systemtic Name: 2-[2-azanylethyl-[2-[6-(phenylmethoxycarbonylamino)purin-9-yl]ethanoyl]amino]ethanoic acid Openeye Name: 2-[2-aminoethyl-[2-[6-(benzyloxycarbonylamino)purin-9-yl]acetyl]amino]acetic acid CAS Name: 2-[2-aminoethyl-[1-oxo-2-[6-(phenylmethoxycarbonylamino)-9-purinyl]ethyl]amino]acetic acid IUPAC Name: 2-[2-aminoethyl-[2-[6-(phenylmethoxycarbonylamino)purin-9-yl]acetyl]amino]acetic acid Traditional Name: 2-[2-aminoethyl-[2-[6-(benzyloxycarbonylamino)purin-9-yl]acetyl]amino]acetic acid Formula: C19H21N7O5 MolecularWeight: 427.41394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=NC=NC3=C2N=CN3CC(=O)N(CCN)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=NC=NC3=C2N=CN3CC(=O)N(CCN)CC(=O)O

InChI

InChI=1S/C19H21N7O5/c20-6-7-25(9-15(28)29)14(27)8-26-12-23-16-17(21-11-22-18(16)26)24-19(30)31-10-13-4-2-1-3-5-13/h1-5,11-12H,6-10,20H2,(H,28,29)(H,21,22,24,30)