(2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butyrate Formula: C11H18N4O3 MolecularWeight: 254.28562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(CC1=CN=CN1)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)[C@H](CC1=CN=CN1)[NH3+]

InChI

InChI=1S/C11H18N4O3/c1-6(2)9(11(17)18)15-10(16)8(12)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9-/m0/s1