(2S)-3-(4-pyrimidin-5-ylphenyl)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(4-pyrimidin-5-ylphenyl)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-3-(4-pyrimidin-5-ylphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]-3-[4-(5-pyrimidinyl)phenyl]propanoic acid IUPAC Name: (2S)-3-(4-pyrimidin-5-ylphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-prolyl]amino]-3-[4-(5-pyrimidyl)phenyl]propionic acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CC2=CC=C(C=C2)C3=CN=CN=C3)C(=O)O

Isomeric SMILES

C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CN=CN=C3)C(=O)O

InChI

InChI=1S/C18H20N4O3/c23-17(15-2-1-7-21-15)22-16(18(24)25)8-12-3-5-13(6-4-12)14-9-19-11-20-10-14/h3-6,9-11,15-16,21H,1-2,7-8H2,(H,22,23)(H,24,25)/t15-,16-/m0/s1