(2-methyl-3-sulfanyl-propanoyl) (2S,4S)-4-(naphthalen-1-ylcarbonylamino)pyrrolidine-2-carboxylate

Systemtic Name: (2-methyl-3-sulfanyl-propanoyl) (2S,4S)-4-(naphthalen-1-ylcarbonylamino)pyrrolidine-2-carboxylate Openeye Name: (2-methyl-3-sulfanyl-propanoyl) (2S,4S)-4-(naphthalene-1-carbonylamino)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-[[1-naphthalenyl(oxo)methyl]amino]-2-pyrrolidinecarboxylic acid (3-mercapto-2-methyl-1-oxopropyl) ester IUPAC Name: (2-methyl-3-sulfanylpropanoyl) (2S,4S)-4-(naphthalene-1-carbonylamino)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(1-naphthoylamino)pyrrolidine-2-carboxylic acid (3-mercapto-2-methyl-propanoyl) ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)OC(=O)C1CC(CN1)NC(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(CS)C(=O)OC(=O)[C@@H]1C[C@@H](CN1)NC(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H22N2O4S/c1-12(11-27)19(24)26-20(25)17-9-14(10-21-17)22-18(23)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,17,21,27H,9-11H2,1H3,(H,22,23)/t12?,14-,17-/m0/s1