(2S)-1-[(2S)-2-(methoxycarbonylamino)-2-phenyl-ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-(methoxycarbonylamino)-2-phenyl-ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-(methoxycarbonylamino)-2-phenyl-acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-(methoxycarbonylamino)-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-(carbomethoxyamino)-2-phenyl-acetyl]proline Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

COC(=O)N[C@@H](C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C15H18N2O5/c1-22-15(21)16-12(10-6-3-2-4-7-10)13(18)17-9-5-8-11(17)14(19)20/h2-4,6-7,11-12H,5,8-9H2,1H3,(H,16,21)(H,19,20)/t11-,12-/m0/s1