(2S)-1-[3-azanyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[3-azanyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-amino-2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-amino-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[3-amino-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-amino-2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]proline Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(CN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H25N3O5/c19-11-14(16(22)21-10-4-7-15(21)18(25)26)20-13(17(23)24)9-8-12-5-2-1-3-6-12/h1-3,5-6,13-15,20H,4,7-11,19H2,(H,23,24)(H,25,26)/t13?,14?,15-/m0/s1