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

Systemtic Name: 3-[[1-[(3-methylphenyl)carbamoyl]-3-propylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(m-tolylcarbamoyl)-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methylanilino)-oxomethyl]-3-propylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(3-methylphenyl)carbamoyl]-3-propylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(m-tolylcarbamoyl)-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C24H29N5O8S MolecularWeight: 547.58076

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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)NC3=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)NC3=CC=CC(=C3)C

InChI

InChI=1S/C24H29N5O8S/c1-3-12-38(36,37)28-11-10-27(24(33)25-18-8-4-6-16(2)13-18)23(28)22(32)26-20(15-21(30)31)17-7-5-9-19(14-17)29(34)35/h4-9,13-14,20,23H,3,10-12,15H2,1-2H3,(H,25,33)(H,26,32)(H,30,31)