3-(6-azanylpyridin-3-yl)-2-[1-(2-oxidanylidene-1-phenyl-pyrrolidin-3-yl)imidazol-4-yl]propanoic acid

Systemtic Name: 3-(6-azanylpyridin-3-yl)-2-[1-(2-oxidanylidene-1-phenyl-pyrrolidin-3-yl)imidazol-4-yl]propanoic acid Openeye Name: 3-(6-amino-3-pyridyl)-2-[1-(2-oxo-1-phenyl-pyrrolidin-3-yl)imidazol-4-yl]propanoic acid CAS Name: 3-(6-amino-3-pyridinyl)-2-[1-(2-oxo-1-phenyl-3-pyrrolidinyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(6-aminopyridin-3-yl)-2-[1-(2-oxo-1-phenylpyrrolidin-3-yl)imidazol-4-yl]propanoic acid Traditional Name: 3-(6-amino-3-pyridyl)-2-[1-(2-keto-1-phenyl-pyrrolidin-3-yl)imidazol-4-yl]propionic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)C1N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c22-19-7-6-14(11-23-19)10-16(21(28)29)17-12-25(13-24-17)18-8-9-26(20(18)27)15-4-2-1-3-5-15/h1-7,11-13,16,18H,8-10H2,(H2,22,23)(H,28,29)