(2S)-2-[[(E,3S)-3-azanylbut-1-enyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(E,3S)-3-azanylbut-1-enyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(E,3S)-3-aminobut-1-enyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(E,3S)-3-aminobut-1-enyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(E,3S)-3-aminobut-1-enyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(E,3S)-3-aminobut-1-enyl]amino]-3-phenyl-propionic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CNC(CC1=CC=CC=C1)C(=O)O)N

Isomeric SMILES

C[C@@H](/C=C/N[C@@H](CC1=CC=CC=C1)C(=O)O)N

InChI

InChI=1S/C13H18N2O2/c1-10(14)7-8-15-12(13(16)17)9-11-5-3-2-4-6-11/h2-8,10,12,15H,9,14H2,1H3,(H,16,17)/b8-7+/t10-,12-/m0/s1