3-cyclohexyl-3-[(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[oxo-(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonyl-2-imidazolidinyl)methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[(1-phenylmethoxycarbonyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[[1-carbobenzoxy-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C25H31N3O7S2 MolecularWeight: 549.65954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O7S2/c29-21(30)16-20(19-10-5-2-6-11-19)26-23(31)24-27(25(32)35-17-18-8-3-1-4-9-18)13-14-28(24)37(33,34)22-12-7-15-36-22/h1,3-4,7-9,12,15,19-20,24H,2,5-6,10-11,13-14,16-17H2,(H,26,31)(H,29,30)