1-[2,6-bis(azanyl)-2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)-2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2,6-diamino-2-(1-carboxy-3-phenyl-propyl)hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2,6-diamino-2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2,6-diamino-2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2,6-diamino-2-(1-carboxy-3-phenyl-propyl)hexanoyl]proline Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)(C(CCC2=CC=CC=C2)C(=O)O)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)(C(CCC2=CC=CC=C2)C(=O)O)N)C(=O)O

InChI

InChI=1S/C21H31N3O5/c22-13-5-4-12-21(23,20(29)24-14-6-9-17(24)19(27)28)16(18(25)26)11-10-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14,22-23H2,(H,25,26)(H,27,28)