1-[2,6-bis(azanyl)-4-oxidanyl-hexanoyl]-2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)-4-oxidanyl-hexanoyl]-2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 2-(1-carboxy-3-phenyl-propyl)-1-(2,6-diamino-4-hydroxy-hexanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2,6-diamino-4-hydroxy-1-oxohexyl)-2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,6-diamino-4-hydroxyhexanoyl)-2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 2-(1-carboxy-3-phenyl-propyl)-1-(2,6-diamino-4-hydroxy-hexanoyl)proline Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(CCN)O)N)(C(CCC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC(CCN)O)N)(C(CCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H31N3O6/c22-11-9-15(25)13-17(23)18(26)24-12-4-10-21(24,20(29)30)16(19(27)28)8-7-14-5-2-1-3-6-14/h1-3,5-6,15-17,25H,4,7-13,22-23H2,(H,27,28)(H,29,30)