(2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[9-(4-methoxyphenyl)-6-purinyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propionic acid Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=C2N=CN=C3NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=C2N=CN=C3N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H19N5O3/c1-29-16-9-7-15(8-10-16)26-13-24-18-19(22-12-23-20(18)26)25-17(21(27)28)11-14-5-3-2-4-6-14/h2-10,12-13,17H,11H2,1H3,(H,27,28)(H,22,23,25)/t17-/m0/s1