1-[2,6-bis(azanyl)hexanoyl]-2-(3-phenylpropyl)pyrrolidine-2,3-dicarboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-(3-phenylpropyl)pyrrolidine-2,3-dicarboxylic acid Openeye Name: 1-(2,6-diaminohexanoyl)-2-(3-phenylpropyl)pyrrolidine-2,3-dicarboxylic acid CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-(3-phenylpropyl)pyrrolidine-2,3-dicarboxylic acid IUPAC Name: 1-(2,6-diaminohexanoyl)-2-(3-phenylpropyl)pyrrolidine-2,3-dicarboxylic acid Traditional Name: 1-(2,6-diaminohexanoyl)-2-(3-phenylpropyl)pyrrolidine-2,3-dicarboxylic acid Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1C(=O)O)(CCCC2=CC=CC=C2)C(=O)O)C(=O)C(CCCCN)N

Isomeric SMILES

C1CN(C(C1C(=O)O)(CCCC2=CC=CC=C2)C(=O)O)C(=O)C(CCCCN)N

InChI

InChI=1S/C21H31N3O5/c22-13-5-4-10-17(23)18(25)24-14-11-16(19(26)27)21(24,20(28)29)12-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14,22-23H2,(H,26,27)(H,28,29)