(2S)-2-[[4-(azaniumylmethyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[4-(azaniumylmethyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[4-(azaniumylmethyl)benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-(ammoniomethyl)phenyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[4-(azaniumylmethyl)benzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(ammoniomethyl)benzoyl]amino]-3-methyl-butyrate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C13H18N2O3/c1-8(2)11(13(17)18)15-12(16)10-5-3-9(7-14)4-6-10/h3-6,8,11H,7,14H2,1-2H3,(H,15,16)(H,17,18)/t11-/m0/s1