3-[2-[8-(4-carbamimidoylphenyl)-6-oxidanylidene-7H-purin-1-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[8-(4-carbamimidoylphenyl)-6-oxidanylidene-7H-purin-1-yl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[8-(4-carbamimidoylphenyl)-6-oxo-7H-purin-1-yl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[8-(4-carbamimidoylphenyl)-6-oxo-7H-purin-1-yl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[8-(4-carbamimidoylphenyl)-6-oxo-7H-purin-1-yl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[8-(4-amidinophenyl)-6-keto-7H-purin-1-yl]acetyl]amino]propionic acid Formula: C17H17N7O4 MolecularWeight: 383.36138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C(=O)N(C=N3)CC(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C(=O)N(C=N3)CC(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C17H17N7O4/c18-14(19)9-1-3-10(4-2-9)15-22-13-16(23-15)21-8-24(17(13)28)7-11(25)20-6-5-12(26)27/h1-4,8H,5-7H2,(H3,18,19)(H,20,25)(H,22,23)(H,26,27)