2-(2,3-dihydro-1H-inden-5-ylcarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylcarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-(indane-5-carbonylamino)propanoic acid CAS Name: 2-[[2,3-dihydro-1H-inden-5-yl(oxo)methyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-(indane-5-carbonylamino)propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)NC(CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C16H17N3O3/c20-15(12-5-4-10-2-1-3-11(10)6-12)19-14(16(21)22)7-13-8-17-9-18-13/h4-6,8-9,14H,1-3,7H2,(H,17,18)(H,19,20)(H,21,22)