diethyl (2S)-2-[[(2S)-1-(2-phenylethanoyl)pyrrolidin-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[(2S)-1-(2-phenylethanoyl)pyrrolidin-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[oxo-[(2S)-1-(1-oxo-2-phenylethyl)-2-pyrrolidinyl]methyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-1-(2-phenylacetyl)prolyl]amino]glutaric acid diethyl ester Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1CCCN1C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)[C@@H]1CCCN1C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O6/c1-3-29-20(26)13-12-17(22(28)30-4-2)23-21(27)18-11-8-14-24(18)19(25)15-16-9-6-5-7-10-16/h5-7,9-10,17-18H,3-4,8,11-15H2,1-2H3,(H,23,27)/t17-,18-/m0/s1