(2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]butanedioate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]butanedioate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-2-ammonio-1-oxo-3-phenylpropyl]amino]butanedioate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-phenyl-propanoyl]amino]succinate Formula: C13H15N2O5- MolecularWeight: 279.2686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c14-9(6-8-4-2-1-3-5-8)12(18)15-10(13(19)20)7-11(16)17/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,10-/m0/s1