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

Systemtic Name: 2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-phenyl-propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[[(2S)-2-ammonio-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[[(2S)-2-ammoniopropanoyl]amino]-3-phenyl-propanoyl]amino]acetate Formula: C14H19N3O4 MolecularWeight: 293.31836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)[O-])[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)[O-])[NH3+]

InChI

InChI=1S/C14H19N3O4/c1-9(15)13(20)17-11(14(21)16-8-12(18)19)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,21)(H,17,20)(H,18,19)/t9-,11-/m0/s1