(2S)-2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidine-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-1-oxo-3-phenylpropyl]-4-piperidinyl]-oxomethyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-phenylpropanoyl]piperidine-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-[(2S)-2-ammonio-3-phenyl-propanoyl]isonipecotoyl]amino]-2-phenyl-acetate Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(C2=CC=CC=C2)C(=O)[O-])C(=O)C(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](C2=CC=CC=C2)C(=O)[O-])C(=O)[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C23H27N3O4/c24-19(15-16-7-3-1-4-8-16)22(28)26-13-11-18(12-14-26)21(27)25-20(23(29)30)17-9-5-2-6-10-17/h1-10,18-20H,11-15,24H2,(H,25,27)(H,29,30)/t19-,20-/m0/s1