3-[[1-cyclopropylcarbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-cyclopropylcarbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(cyclopropanecarbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclopropyl(oxo)methyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(cyclopropanecarbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(cyclopropanecarbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C24H26N4O8S MolecularWeight: 530.55024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O8S/c29-21(30)14-20(18-7-4-8-19(13-18)28(33)34)25-22(31)23-26(24(32)17-9-10-17)11-12-27(23)37(35,36)15-16-5-2-1-3-6-16/h1-8,13,17,20,23H,9-12,14-15H2,(H,25,31)(H,29,30)