(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]succinic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)O)N

Isomeric SMILES

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

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)/t9-,10-/m0/s1