(2S)-2-acetamido-4-methylsulfanyl-butanoic acid; 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea

Systemtic Name: (2S)-2-acetamido-4-methylsulfanyl-butanoic acid; 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea Openeye Name: (2S)-2-acetamido-4-methylsulfanyl-butanoic acid; (2,5-dioxoimidazolidin-4-yl)urea CAS Name: (2S)-2-acetamido-4-(methylthio)butanoic acid; (2,5-dioxo-4-imidazolidinyl)urea IUPAC Name: (2S)-2-acetamido-4-methylsulfanylbutanoic acid; (2,5-dioxoimidazolidin-4-yl)urea Traditional Name: (2S)-2-acetamido-4-(methylthio)butyric acid; allantoin Formula: C11H19N5O6S MolecularWeight: 349.36346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)O.C1(C(=O)NC(=O)N1)NC(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)O.C1(C(=O)NC(=O)N1)NC(=O)N

InChI

InChI=1S/C7H13NO3S.C4H6N4O3/c1-5(9)8-6(7(10)11)3-4-12-2;5-3(10)6-1-2(9)8-4(11)7-1/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11);1H,(H3,5,6,10)(H2,7,8,9,11)/t6-;/m0./s1