1-[(3-benzamido-2-oxidanyl-heptyl)-methyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-benzamido-2-oxidanyl-heptyl)-methyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-benzamido-2-hydroxy-heptyl)-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[(3-benzamido-2-hydroxyheptyl)-methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-benzamido-2-hydroxyheptyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-benzamido-2-hydroxy-heptyl)-methyl-carbamoyl]proline Formula: C21H31N3O5 MolecularWeight: 405.48794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CN(C)C(=O)N1CCCC1C(=O)O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(CN(C)C(=O)N1CCCC1C(=O)O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H31N3O5/c1-3-4-11-16(22-19(26)15-9-6-5-7-10-15)18(25)14-23(2)21(29)24-13-8-12-17(24)20(27)28/h5-7,9-10,16-18,25H,3-4,8,11-14H2,1-2H3,(H,22,26)(H,27,28)