(2S)-2-[2-(methylazaniumyl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-(methylazaniumyl)ethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-(methylammonio)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(methylammonio)-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-(methylazaniumyl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(methylammonio)acetyl]amino]-3-phenyl-propionate Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

C[NH2+]CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C12H16N2O3/c1-13-8-11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1