4-(oxan-2-yl)-1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(oxan-2-yl)-1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(1-carboxy-3-phenyl-propyl)amino]acetyl]-4-tetrahydropyran-2-yl-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxoethyl]-4-(2-oxanyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]acetyl]-4-(oxan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(1-carboxy-3-phenyl-propyl)amino]acetyl]-4-tetrahydropyran-2-yl-proline Formula: C22H30N2O6 MolecularWeight: 418.4834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)C2CC(N(C2)C(=O)CNC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CCOC(C1)C2CC(N(C2)C(=O)CNC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H30N2O6/c25-20(13-23-17(21(26)27)10-9-15-6-2-1-3-7-15)24-14-16(12-18(24)22(28)29)19-8-4-5-11-30-19/h1-3,6-7,16-19,23H,4-5,8-14H2,(H,26,27)(H,28,29)