2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-[(4-nitrophenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-[(4-nitrophenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-nitrophenyl)methylamino]-4-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-[(4-nitrophenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-[(4-nitrophenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(4-nitrobenzyl)amino]-2-[(1-tosylprolyl)amino]butyric acid Formula: C23H26N4O8S MolecularWeight: 518.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H26N4O8S/c1-15-4-10-18(11-5-15)36(34,35)26-12-2-3-20(26)22(29)25-19(23(30)31)13-21(28)24-14-16-6-8-17(9-7-16)27(32)33/h4-11,19-20H,2-3,12-14H2,1H3,(H,24,28)(H,25,29)(H,30,31)