1-[2,6-bis(azanyl)hexanoyl]-2-(2-oxidanylidene-5-phenyl-oxolan-3-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-(2-oxidanylidene-5-phenyl-oxolan-3-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2,6-diaminohexanoyl)-2-(2-oxo-5-phenyl-tetrahydrofuran-3-yl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-(2-oxo-5-phenyl-3-oxolanyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,6-diaminohexanoyl)-2-(2-oxo-5-phenyloxolan-3-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2,6-diaminohexanoyl)-2-(2-keto-5-phenyl-tetrahydrofuran-3-yl)proline Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)N)(C2CC(OC2=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)N)(C2CC(OC2=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H29N3O5/c22-11-5-4-9-16(23)18(25)24-12-6-10-21(24,20(27)28)15-13-17(29-19(15)26)14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,22-23H2,(H,27,28)