4-azanyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-1-piperidin-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-azanyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-1-piperidin-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-amino-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-amino-4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-1-[oxo(2-piperidinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-amino-4-[(2-hydroxy-4-phenylbutanoyl)amino]-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-amino-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-pipecoloyl-proline Formula: C21H30N4O5 MolecularWeight: 418.4867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C(=O)N2CC(CC2C(=O)O)(N)NC(=O)C(CCC3=CC=CC=C3)O

Isomeric SMILES

C1CCNC(C1)C(=O)N2CC(CC2C(=O)O)(N)NC(=O)C(CCC3=CC=CC=C3)O

InChI

InChI=1S/C21H30N4O5/c22-21(24-18(27)17(26)10-9-14-6-2-1-3-7-14)12-16(20(29)30)25(13-21)19(28)15-8-4-5-11-23-15/h1-3,6-7,15-17,23,26H,4-5,8-13,22H2,(H,24,27)(H,29,30)