3-[[1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(2-cyclopentyl-2-phenyl-acetyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(2-cyclopentyl-2-phenylacetyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(2-cyclopentyl-2-phenyl-acetyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C30H32N4O8S2 MolecularWeight: 640.72708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCN(C3C(=O)NC(CC(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCN(C3C(=O)NC(CC(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C30H32N4O8S2/c35-25(36)19-24(22-12-6-13-23(18-22)34(39)40)31-28(37)29-32(15-16-33(29)44(41,42)26-14-7-17-43-26)30(38)27(21-10-4-5-11-21)20-8-2-1-3-9-20/h1-3,6-9,12-14,17-18,21,24,27,29H,4-5,10-11,15-16,19H2,(H,31,37)(H,35,36)