3-cyclohexyl-3-[[1-(phenylmethyl)sulfonyl-3-(3-phenylpropanoyl)imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(phenylmethyl)sulfonyl-3-(3-phenylpropanoyl)imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(3-phenylpropanoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[oxo-[1-(1-oxo-3-phenylpropyl)-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(3-phenylpropanoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-hydrocinnamoyl-imidazolidine-2-carbonyl)amino]-3-cyclohexyl-propionic acid Formula: C29H37N3O6S MolecularWeight: 555.68558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H37N3O6S/c33-26(17-16-22-10-4-1-5-11-22)31-18-19-32(39(37,38)21-23-12-6-2-7-13-23)29(31)28(36)30-25(20-27(34)35)24-14-8-3-9-15-24/h1-2,4-7,10-13,24-25,29H,3,8-9,14-21H2,(H,30,36)(H,34,35)