3-[[1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C26H30N6O8S2 MolecularWeight: 618.6818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O8S2/c1-26(2,3)20-15-19(29(4)28-20)25(36)30-10-11-31(42(39,40)22-9-6-12-41-22)24(30)23(35)27-18(14-21(33)34)16-7-5-8-17(13-16)32(37)38/h5-9,12-13,15,18,24H,10-11,14H2,1-4H3,(H,27,35)(H,33,34)