(2S)-6-azaniumyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate

Systemtic Name: (2S)-6-azaniumyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate Openeye Name: (2S)-6-azaniumyl-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]hexanoate CAS Name: (2S)-6-ammonio-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]hexanoate IUPAC Name: (2S)-6-azaniumyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate Traditional Name: (2S)-6-ammonio-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]hexanoate Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCC[NH3+])C(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H25N3O5/c1-12(15(21)20-14(16(22)23)9-5-6-10-18)19-17(24)25-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,18H2,1H3,(H,19,24)(H,20,21)(H,22,23)/t12-,14-/m0/s1