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

Systemtic Name: 3-[[1-(3-methoxyphenyl)carbonyl-3-thiophen-2-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(3-methoxybenzoyl)-3-(thiophene-2-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methoxyphenyl)-oxomethyl]-3-[oxo(thiophen-2-yl)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-methoxybenzoyl)-3-(thiophene-2-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-m-anisoyl-3-(2-thenoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C26H24N4O8S MolecularWeight: 552.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O8S/c1-38-19-8-3-6-17(14-19)25(34)28-10-11-29(26(35)21-9-4-12-39-21)24(28)23(33)27-20(15-22(31)32)16-5-2-7-18(13-16)30(36)37/h2-9,12-14,20,24H,10-11,15H2,1H3,(H,27,33)(H,31,32)