(4-nitrophenyl)methyl 2-(naphthalen-1-ylmethyl)-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(naphthalen-1-ylmethyl)-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1-naphthylmethyl)-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(1-naphthalenylmethyl)-4-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(naphthalen-1-ylmethyl)-4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(1-naphthylmethyl)-4-[[(4-nitrobenzyl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C32H30N4O8S MolecularWeight: 630.6676

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC1(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C(N(CC1(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C32H30N4O8S/c37-30(43-18-22-8-12-26(13-9-22)35(39)40)33-20-32(45)17-28(16-25-6-3-5-24-4-1-2-7-29(24)25)34(21-32)31(38)44-19-23-10-14-27(15-11-23)36(41)42/h1-15,28,45H,16-21H2,(H,33,37)