3-[[1-[(4-methoxyphenyl)carbamoyl]-3-propylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-propylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-methoxyanilino)-oxomethyl]-3-propylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-propylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C24H29N5O9S MolecularWeight: 563.58016

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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=C(C=C3)OC

Isomeric SMILES

CCCS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H29N5O9S/c1-3-13-39(36,37)28-12-11-27(24(33)25-17-7-9-19(38-2)10-8-17)23(28)22(32)26-20(15-21(30)31)16-5-4-6-18(14-16)29(34)35/h4-10,14,20,23H,3,11-13,15H2,1-2H3,(H,25,33)(H,26,32)(H,30,31)