aluminum 2-(3-azanylpropanoylamino)-3-[1-(phenylcarbonyl)imidazol-4-yl]propanoic acid

Systemtic Name: aluminum 2-(3-azanylpropanoylamino)-3-[1-(phenylcarbonyl)imidazol-4-yl]propanoic acid Openeye Name: aluminum 2-(3-aminopropanoylamino)-3-(1-benzoylimidazol-4-yl)propanoic acid CAS Name: aluminum 2-[(3-amino-1-oxopropyl)amino]-3-(1-benzoyl-4-imidazolyl)propanoic acid IUPAC Name: aluminum 2-(3-aminopropanoylamino)-3-(1-benzoylimidazol-4-yl)propanoic acid Traditional Name: aluminum 2-(3-aminopropanoylamino)-3-(1-benzoylimidazol-4-yl)propionic acid Formula: C16H18AlN4O4+3 MolecularWeight: 357.320058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=C(N=C2)CC(C(=O)O)NC(=O)CCN.[Al+3]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=C(N=C2)CC(C(=O)O)NC(=O)CCN.[Al+3]

InChI

InChI=1S/C16H18N4O4.Al/c17-7-6-14(21)19-13(16(23)24)8-12-9-20(10-18-12)15(22)11-4-2-1-3-5-11;/h1-5,9-10,13H,6-8,17H2,(H,19,21)(H,23,24);/q;+3