2-[[(2S)-2-(2-azaniumylethanoylamino)-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-2-(2-azaniumylethanoylamino)-3-phenyl-propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[(2-ammonio-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[(2-ammonioacetyl)amino]-3-phenyl-propanoyl]amino]acetate Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c14-7-11(17)16-10(13(20)15-8-12(18)19)6-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,15,20)(H,16,17)(H,18,19)/t10-/m0/s1