(4-nitrophenyl)methyl (2S,4S)-2-[bis(2-hydroxyethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[bis(2-hydroxyethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-[bis(2-hydroxyethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[bis(2-hydroxyethyl)amino]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-[bis(2-hydroxyethyl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[bis(2-hydroxyethyl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N(CCO)CCO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1[C@@H](CN([C@@H]1C(=O)N(CCO)CCO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C17H23N3O7S/c21-7-5-18(6-8-22)16(23)15-9-14(28)10-19(15)17(24)27-11-12-1-3-13(4-2-12)20(25)26/h1-4,14-15,21-22,28H,5-11H2/t14-,15-/m0/s1