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

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(3-benzylimidazol-4-yl)-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 2-(phenylmethoxycarbonylamino)-3-[3-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(3-benzylimidazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(3-benzylimidazol-4-yl)-2-(benzyloxycarbonylamino)propionic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC=C2CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC=C2CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c25-20(26)19(23-21(27)28-14-17-9-5-2-6-10-17)11-18-12-22-15-24(18)13-16-7-3-1-4-8-16/h1-10,12,15,19H,11,13-14H2,(H,23,27)(H,25,26)