(2S)-2-[[(2S)-2-azaniumyl-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[(2S)-4-amino-2-azaniumyl-4-oxo-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-4-amino-2-ammonio-1,4-dioxobutyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[(2S)-4-amino-2-azaniumyl-4-oxobutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-4-amino-2-ammonio-4-keto-butanoyl]amino]-3-methyl-butyrate Formula: C9H17N3O4 MolecularWeight: 231.24898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(CC(=O)N)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)[C@H](CC(=O)N)[NH3+]

InChI

InChI=1S/C9H17N3O4/c1-4(2)7(9(15)16)12-8(14)5(10)3-6(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t5-,7-/m0/s1