(4-nitrophenyl)methyl 2-azanyl-2-[[1-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpyrrolidin-3-yl]methylimino]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-azanyl-2-[[1-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpyrrolidin-3-yl]methylimino]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-amino-2-[[1-(1-methyl-4-sulfanyl-pyrrolidine-2-carbonyl)pyrrolidin-3-yl]methylimino]acetate CAS Name: 2-amino-2-[[1-[(4-mercapto-1-methyl-2-pyrrolidinyl)-oxomethyl]-3-pyrrolidinyl]methylimino]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-amino-2-[[1-(1-methyl-4-sulfanylpyrrolidine-2-carbonyl)pyrrolidin-3-yl]methylimino]acetate Traditional Name: 2-amino-2-[[1-(4-mercapto-1-methyl-prolyl)pyrrolidin-3-yl]methylimino]acetic acid (4-nitrobenzyl) ester Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1C(=O)N2CCC(C2)CN=C(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N)S

Isomeric SMILES

CN1CC(CC1C(=O)N2CCC(C2)CN=C(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N)S

InChI

InChI=1S/C20H27N5O5S/c1-23-11-16(31)8-17(23)19(26)24-7-6-14(10-24)9-22-18(21)20(27)30-12-13-2-4-15(5-3-13)25(28)29/h2-5,14,16-17,31H,6-12H2,1H3,(H2,21,22)