(2S)-3-methyl-2-[[(3R)-5-oxidanylidene-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(3R)-5-oxidanylidene-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[(3R)-5-oxo-1-(3-pyridylmethyl)pyrrolidine-3-carbonyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[(3R)-5-oxo-1-(3-pyridinylmethyl)-3-pyrrolidinyl]methyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]amino]butanoate Traditional Name: (2S)-2-[[(3R)-5-keto-1-(3-pyridylmethyl)pyrrolidine-3-carbonyl]amino]-3-methyl-butyrate Formula: C16H20N3O4- MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1CC(=O)N(C1)CC2=CN=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)[C@@H]1CC(=O)N(C1)CC2=CN=CC=C2

InChI

InChI=1S/C16H21N3O4/c1-10(2)14(16(22)23)18-15(21)12-6-13(20)19(9-12)8-11-4-3-5-17-7-11/h3-5,7,10,12,14H,6,8-9H2,1-2H3,(H,18,21)(H,22,23)/p-1/t12-,14+/m1/s1