1-[2-[(2-carboxycyclohexyl)carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(2-carboxycyclohexyl)carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-carboxycyclohexanecarbonyl)amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(2-carboxycyclohexyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-carboxycyclohexanecarbonyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-carboxycyclohexanecarbonyl)amino]-3-phenyl-propanoyl]proline Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)O)C(=O)O

InChI

InChI=1S/C22H28N2O6/c25-19(15-9-4-5-10-16(15)21(27)28)23-17(13-14-7-2-1-3-8-14)20(26)24-12-6-11-18(24)22(29)30/h1-3,7-8,15-18H,4-6,9-13H2,(H,23,25)(H,27,28)(H,29,30)