dimethyl-[(1R)-1-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]azanium

Systemtic Name: dimethyl-[(1R)-1-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]azanium Openeye Name: [(1R)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1R)-1-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]azanium Traditional Name: [(1R)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC[C@@H](C1=CC=CC=C1)[NH+](C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O3/c1-16(23-21(26)27-15-17-10-6-4-7-11-17)20(25)22-14-19(24(2)3)18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3,(H,22,25)(H,23,26)/p+1/t16-,19-/m0/s1