2-azanyl-3-oxidanylidene-2-[(6-oxidanylidene-3H-purin-9-yl)-phenyl-methyl]pentanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-2-[(6-oxidanylidene-3H-purin-9-yl)-phenyl-methyl]pentanoic acid Openeye Name: 2-amino-3-oxo-2-[(6-oxo-3H-purin-9-yl)-phenyl-methyl]pentanoic acid CAS Name: 2-amino-3-oxo-2-[(6-oxo-3H-purin-9-yl)-phenylmethyl]pentanoic acid IUPAC Name: 2-amino-3-oxo-2-[(6-oxo-3H-purin-9-yl)-phenylmethyl]pentanoic acid Traditional Name: 2-amino-3-keto-2-[(6-keto-3H-purin-9-yl)-phenyl-methyl]valeric acid Formula: C17H17N5O4 MolecularWeight: 355.34798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C1=CC=CC=C1)N2C=NC3=C2NC=NC3=O)(C(=O)O)N

Isomeric SMILES

CCC(=O)C(C(C1=CC=CC=C1)N2C=NC3=C2NC=NC3=O)(C(=O)O)N

InChI

InChI=1S/C17H17N5O4/c1-2-11(23)17(18,16(25)26)13(10-6-4-3-5-7-10)22-9-21-12-14(22)19-8-20-15(12)24/h3-9,13H,2,18H2,1H3,(H,25,26)(H,19,20,24)