3-[[1-(3-methylphenyl)carbonyl-3-propylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(3-methylphenyl)carbonyl-3-propylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(3-methylbenzoyl)-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methylphenyl)-oxomethyl]-3-propylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-methylbenzoyl)-3-propylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-m-toluoyl-3-propylsulfonyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C24H28N4O8S MolecularWeight: 532.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C24H28N4O8S/c1-3-12-37(35,36)27-11-10-26(24(32)18-8-4-6-16(2)13-18)23(27)22(31)25-20(15-21(29)30)17-7-5-9-19(14-17)28(33)34/h4-9,13-14,20,23H,3,10-12,15H2,1-2H3,(H,25,31)(H,29,30)