2-[carboxy(phenethyl)amino]-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-[carboxy(phenethyl)amino]-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(3-benzylimidazol-4-yl)-2-[carboxy(phenethyl)amino]propanoic acid CAS Name: 2-[carboxy(phenethyl)amino]-3-[3-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(3-benzylimidazol-4-yl)-2-[carboxy(phenethyl)amino]propanoic acid Traditional Name: 3-(3-benzylimidazol-4-yl)-2-[carboxy(phenethyl)amino]propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(CC2=CN=CN2CC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(CC2=CN=CN2CC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H23N3O4/c26-21(27)20(25(22(28)29)12-11-17-7-3-1-4-8-17)13-19-14-23-16-24(19)15-18-9-5-2-6-10-18/h1-10,14,16,20H,11-13,15H2,(H,26,27)(H,28,29)