3-[[1-(4-tert-butylphenyl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(4-tert-butylphenyl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(4-tert-butylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(4-tert-butylphenyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(4-tert-butylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(4-tert-butylbenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C31H41N3O6S MolecularWeight: 583.73874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C31H41N3O6S/c1-31(2,3)25-16-14-24(15-17-25)30(38)33-18-19-34(41(39,40)21-22-10-6-4-7-11-22)29(33)28(37)32-26(20-27(35)36)23-12-8-5-9-13-23/h4,6-7,10-11,14-17,23,26,29H,5,8-9,12-13,18-21H2,1-3H3,(H,32,37)(H,35,36)