1-[6-azanyl-5-oxidanyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-5-oxidanyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[(1-carboxy-3-phenyl-propyl)amino]-5-hydroxy-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-5-hydroxy-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-5-hydroxy-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[(1-carboxy-3-phenyl-propyl)amino]-5-hydroxy-hexanoyl]proline Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCC(CN)O)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCC(CN)O)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

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