(4-nitrophenyl)methyl N-[1-[(2S,4S)-1-methyl-4-sulfanyl-pyrrolidin-2-yl]carbonylazetidin-3-yl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[1-[(2S,4S)-1-methyl-4-sulfanyl-pyrrolidin-2-yl]carbonylazetidin-3-yl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[1-[(2S,4S)-1-methyl-4-sulfanyl-pyrrolidine-2-carbonyl]azetidin-3-yl]carbamate CAS Name: N-[1-[[(2S,4S)-4-mercapto-1-methyl-2-pyrrolidinyl]-oxomethyl]-3-azetidinyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-[(2S,4S)-1-methyl-4-sulfanylpyrrolidine-2-carbonyl]azetidin-3-yl]carbamate Traditional Name: N-[1-[(2S,4S)-4-mercapto-1-methyl-prolyl]azetidin-3-yl]carbamic acid (4-nitrobenzyl) ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1C(=O)N2CC(C2)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1C[C@H](C[C@H]1C(=O)N2CC(C2)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H22N4O5S/c1-19-9-14(27)6-15(19)16(22)20-7-12(8-20)18-17(23)26-10-11-2-4-13(5-3-11)21(24)25/h2-5,12,14-15,27H,6-10H2,1H3,(H,18,23)/t14-,15-/m0/s1