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

Systemtic Name: diethyl (2S)-2-[[(2S)-1-(2-phenylethanoyl)pyrrolidin-2-yl]carbonylamino]butanedioate Openeye Name: diethyl (2S)-2-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]butanedioate CAS Name: (2S)-2-[[oxo-[(2S)-1-(1-oxo-2-phenylethyl)-2-pyrrolidinyl]methyl]amino]butanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-1-(2-phenylacetyl)prolyl]amino]succinic acid diethyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6/c1-3-28-19(25)14-16(21(27)29-4-2)22-20(26)17-11-8-12-23(17)18(24)13-15-9-6-5-7-10-15/h5-7,9-10,16-17H,3-4,8,11-14H2,1-2H3,(H,22,26)/t16-,17-/m0/s1