2-(2-oxidanylidenepentan-3-ylamino)-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-(2-oxidanylidenepentan-3-ylamino)-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(3-benzylimidazol-4-yl)-2-[(1-ethyl-2-oxo-propyl)amino]propanoic acid CAS Name: 2-(2-oxopentan-3-ylamino)-3-[3-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(3-benzylimidazol-4-yl)-2-(2-oxopentan-3-ylamino)propanoic acid Traditional Name: 3-(3-benzylimidazol-4-yl)-2-[(1-ethyl-2-keto-propyl)amino]propionic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)NC(CC1=CN=CN1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(C(=O)C)NC(CC1=CN=CN1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H23N3O3/c1-3-16(13(2)22)20-17(18(23)24)9-15-10-19-12-21(15)11-14-7-5-4-6-8-14/h4-8,10,12,16-17,20H,3,9,11H2,1-2H3,(H,23,24)