aluminum; 2-acetamido-4-methylsulfanyl-butanoate; 1-[1-oxidanyl-2,5-bis(oxidanylidene)imidazolidin-4-yl]urea

Systemtic Name: aluminum; 2-acetamido-4-methylsulfanyl-butanoate; 1-[1-oxidanyl-2,5-bis(oxidanylidene)imidazolidin-4-yl]urea Openeye Name: aluminum; 2-acetamido-4-methylsulfanyl-butanoate; (1-hydroxy-2,5-dioxo-imidazolidin-4-yl)urea CAS Name: aluminum; 2-acetamido-4-(methylthio)butanoate; (1-hydroxy-2,5-dioxo-4-imidazolidinyl)urea IUPAC Name: aluminum; 2-acetamido-4-methylsulfanylbutanoate; (1-hydroxy-2,5-dioxoimidazolidin-4-yl)urea Traditional Name: aluminum; 2-acetamido-4-(methylthio)butyrate; (1-hydroxy-2,5-diketo-imidazolidin-4-yl)urea Formula: C25H42AlN7O13S3 MolecularWeight: 771.816618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)[O-].CC(=O)NC(CCSC)C(=O)[O-].CC(=O)NC(CCSC)C(=O)[O-].C1(C(=O)N(C(=O)N1)O)NC(=O)N.[Al+3]

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)[O-].CC(=O)NC(CCSC)C(=O)[O-].CC(=O)NC(CCSC)C(=O)[O-].C1(C(=O)N(C(=O)N1)O)NC(=O)N.[Al+3]

InChI

InChI=1S/3C7H13NO3S.C4H6N4O4.Al/c3*1-5(9)8-6(7(10)11)3-4-12-2;5-3(10)6-1-2(9)8(12)4(11)7-1;/h3*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);1,12H,(H,7,11)(H3,5,6,10);/q;;;;+3/p-3