(2S)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(6-aminopurin-9-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(6-aminopurin-9-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(6-aminopurin-9-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(2-adenin-9-ylacetyl)amino]-3-phenyl-propionic acid Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C16H16N6O3/c17-14-13-15(19-8-18-14)22(9-20-13)7-12(23)21-11(16(24)25)6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,21,23)(H,24,25)(H2,17,18,19)/t11-/m0/s1