3-[[1-(4-methoxyphenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(4-methoxyphenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-methoxybenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-methoxyphenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-methoxybenzoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-(3-nitrophenyl)-3-[[1-p-anisoyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C25H24N4O9S2 MolecularWeight: 588.60946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H24N4O9S2/c1-38-19-9-7-16(8-10-19)25(33)27-11-12-28(40(36,37)22-6-3-13-39-22)24(27)23(32)26-20(15-21(30)31)17-4-2-5-18(14-17)29(34)35/h2-10,13-14,20,24H,11-12,15H2,1H3,(H,26,32)(H,30,31)