2-[2,6-bis(azanyl)hexanoyl]-3-phenylmethoxycarbonyl-1-propyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-[2,6-bis(azanyl)hexanoyl]-3-phenylmethoxycarbonyl-1-propyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-benzyloxycarbonyl-2-(2,6-diaminohexanoyl)-1-propyl-pyrrolidine-2-carboxylic acid CAS Name: 2-(2,6-diamino-1-oxohexyl)-3-phenylmethoxycarbonyl-1-propyl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2,6-diaminohexanoyl)-3-phenylmethoxycarbonyl-1-propylpyrrolidine-2-carboxylic acid Traditional Name: 3-carbobenzoxy-2-(2,6-diaminohexanoyl)-1-propyl-proline Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(C1(C(=O)C(CCCCN)N)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCN1CCC(C1(C(=O)C(CCCCN)N)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H33N3O5/c1-2-13-25-14-11-17(20(27)30-15-16-8-4-3-5-9-16)22(25,21(28)29)19(26)18(24)10-6-7-12-23/h3-5,8-9,17-18H,2,6-7,10-15,23-24H2,1H3,(H,28,29)