(4-nitrophenyl)methyl N-[(4-nitrophenyl)methoxycarbonyl]-N-[(5-phenethyl-3-sulfanyl-pyrrolidin-3-yl)methyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[(4-nitrophenyl)methoxycarbonyl]-N-[(5-phenethyl-3-sulfanyl-pyrrolidin-3-yl)methyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[(4-nitrophenyl)methoxycarbonyl]-N-[(5-phenethyl-3-sulfanyl-pyrrolidin-3-yl)methyl]carbamate CAS Name: N-[(3-mercapto-5-phenethyl-3-pyrrolidinyl)methyl]-N-[(4-nitrophenyl)methoxy-oxomethyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[(4-nitrophenyl)methoxycarbonyl]-N-[(5-phenethyl-3-sulfanylpyrrolidin-3-yl)methyl]carbamate Traditional Name: N-[(3-mercapto-5-phenethyl-pyrrolidin-3-yl)methyl]-N-(4-nitrobenzyl)oxycarbonyl-carbamic acid (4-nitrobenzyl) ester Formula: C29H30N4O8S MolecularWeight: 594.6355

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC1(CN(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)CCC4=CC=CC=C4

Isomeric SMILES

C1C(NCC1(CN(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)CCC4=CC=CC=C4

InChI

InChI=1S/C29H30N4O8S/c34-27(40-17-22-7-12-25(13-8-22)32(36)37)31(28(35)41-18-23-9-14-26(15-10-23)33(38)39)20-29(42)16-24(30-19-29)11-6-21-4-2-1-3-5-21/h1-5,7-10,12-15,24,30,42H,6,11,16-20H2