(4-nitrophenyl)methyl 2-[3-[(1-methylpyrrolidin-2-yl)carbonylamino]pyrrolidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-[(1-methylpyrrolidin-2-yl)carbonylamino]pyrrolidin-1-yl]carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-[(1-methylpyrrolidine-2-carbonyl)amino]pyrrolidine-1-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[[3-[[(1-methyl-2-pyrrolidinyl)-oxomethyl]amino]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-[(1-methylpyrrolidine-2-carbonyl)amino]pyrrolidine-1-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[3-(hygroylamino)pyrrolidine-1-carbonyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C23H31N5O6S MolecularWeight: 505.58714

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C(=O)NC2CCN(C2)C(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

Isomeric SMILES

CN1CCCC1C(=O)NC2CCN(C2)C(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

InChI

InChI=1S/C23H31N5O6S/c1-25-9-2-3-19(25)21(29)24-16-8-10-26(12-16)22(30)20-11-18(35)13-27(20)23(31)34-14-15-4-6-17(7-5-15)28(32)33/h4-7,16,18-20,35H,2-3,8-14H2,1H3,(H,24,29)