2-(1H-indol-2-ylcarbonylamino)-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-(1H-indol-2-ylcarbonylamino)-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-[3-(benzyloxymethyl)imidazol-4-yl]-2-(1H-indole-2-carbonylamino)propanoic acid CAS Name: 2-[[1H-indol-2-yl(oxo)methyl]amino]-3-[3-(phenylmethoxymethyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-(1H-indole-2-carbonylamino)-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid Traditional Name: 3-[3-(benzoxymethyl)imidazol-4-yl]-2-(1H-indole-2-carbonylamino)propionic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCN2C=NC=C2CC(C(=O)O)NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)COCN2C=NC=C2CC(C(=O)O)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C23H22N4O4/c28-22(20-10-17-8-4-5-9-19(17)25-20)26-21(23(29)30)11-18-12-24-14-27(18)15-31-13-16-6-2-1-3-7-16/h1-10,12,14,21,25H,11,13,15H2,(H,26,28)(H,29,30)