2-[(2-azaniumyl-3-oxidanyl-propanoyl)amino]-4-methyl-pentanoate

Systemtic Name: 2-[(2-azaniumyl-3-oxidanyl-propanoyl)amino]-4-methyl-pentanoate Openeye Name: 2-[(2-azaniumyl-3-hydroxy-propanoyl)amino]-4-methyl-pentanoate CAS Name: 2-[(2-ammonio-3-hydroxy-1-oxopropyl)amino]-4-methylpentanoate IUPAC Name: 2-[(2-azaniumyl-3-hydroxypropanoyl)amino]-4-methylpentanoate Traditional Name: 2-[(2-ammonio-3-hydroxy-propanoyl)amino]-4-methyl-valerate Formula: C9H18N2O4 MolecularWeight: 218.25022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)