trialuminum (2S)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoate tetrahydroxide

Systemtic Name: trialuminum (2S)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoate tetrahydroxide Openeye Name: trialuminum (2S)-2-acetamido-5-amino-5-oxo-pentanoate tetrahydroxide CAS Name: trialuminum (2S)-2-acetamido-5-amino-5-oxopentanoate tetrahydroxide IUPAC Name: trialuminum (2S)-2-acetamido-5-amino-5-oxopentanoate tetrahydroxide Traditional Name: trialuminum (2S)-2-acetamido-5-amino-5-keto-valerate tetrahydroxide Formula: C35H59Al3N10O24 MolecularWeight: 1084.840174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)N)C(=O)[O-].CC(=O)NC(CCC(=O)N)C(=O)[O-].CC(=O)NC(CCC(=O)N)C(=O)[O-].CC(=O)NC(CCC(=O)N)C(=O)[O-].CC(=O)NC(CCC(=O)N)C(=O)[O-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3]

Isomeric SMILES

CC(=O)N[C@@H](CCC(=O)N)C(=O)[O-].CC(=O)N[C@@H](CCC(=O)N)C(=O)[O-].CC(=O)N[C@@H](CCC(=O)N)C(=O)[O-].CC(=O)N[C@@H](CCC(=O)N)C(=O)[O-].CC(=O)N[C@@H](CCC(=O)N)C(=O)[O-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3]

InChI

InChI=1S/5C7H12N2O4.3Al.4H2O/c5*1-4(10)9-5(7(12)13)2-3-6(8)11;;;;;;;/h5*5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13);;;;4*1H2/q;;;;;3*+3;;;;/p-9/t5*5-;;;;;;;/m00000......./s1