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

Systemtic Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-methylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-methoxyanilino)-oxomethyl]-3-methylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-[(4-methoxyphenyl)carbamoyl]-3-methylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-mesyl-3-[(4-methoxyphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C22H25N5O9S MolecularWeight: 535.527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C22H25N5O9S/c1-36-17-8-6-15(7-9-17)23-22(31)25-10-11-26(37(2,34)35)21(25)20(30)24-18(13-19(28)29)14-4-3-5-16(12-14)27(32)33/h3-9,12,18,21H,10-11,13H2,1-2H3,(H,23,31)(H,24,30)(H,28,29)