(2S)-1-[(2R)-2-azaniumyl-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(2R)-2-azaniumyl-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(2R)-2-azaniumyl-6-(benzyloxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-2-ammonio-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(2R)-2-azaniumyl-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-ammonio-6-(benzyloxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)[NH3+])C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)[NH3+])C(=O)[O-]

InChI

InChI=1S/C19H27N3O5/c20-15(17(23)22-12-6-10-16(22)18(24)25)9-4-5-11-21-19(26)27-13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13,20H2,(H,21,26)(H,24,25)/t15-,16+/m1/s1