(4-nitrophenyl)methyl 3-azanyl-3-[1-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonylazetidin-3-yl]imino-propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-azanyl-3-[1-(1-methyl-4-sulfanyl-pyrrolidin-2-yl)carbonylazetidin-3-yl]imino-propanoate Openeye Name: (4-nitrophenyl)methyl 3-amino-3-[1-(1-methyl-4-sulfanyl-pyrrolidine-2-carbonyl)azetidin-3-yl]imino-propanoate CAS Name: 3-amino-3-[[1-[(4-mercapto-1-methyl-2-pyrrolidinyl)-oxomethyl]-3-azetidinyl]imino]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-amino-3-[1-(1-methyl-4-sulfanylpyrrolidine-2-carbonyl)azetidin-3-yl]iminopropanoate Traditional Name: 3-amino-3-[1-(4-mercapto-1-methyl-prolyl)azetidin-3-yl]imino-propionic acid (4-nitrobenzyl) ester Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5S/c1-22-10-15(30)6-16(22)19(26)23-8-13(9-23)21-17(20)7-18(25)29-11-12-2-4-14(5-3-12)24(27)28/h2-5,13,15-16,30H,6-11H2,1H3,(H2,20,21)