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

Systemtic Name: 2-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]-3-phenyl-propionic acid Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C17H18N6O4/c18-17-21-14-13(15(25)22-17)19-9-23(14)7-6-12(24)20-11(16(26)27)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,20,24)(H,26,27)(H3,18,21,22,25)