3-[(4-methoxyphenyl)sulfonyl-[(1-phenylmethoxycarbonylcyclohexyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-methoxyphenyl)sulfonyl-[(1-phenylmethoxycarbonylcyclohexyl)methyl]amino]propanoic acid Openeye Name: 3-[(1-benzyloxycarbonylcyclohexyl)methyl-(4-methoxyphenyl)sulfonyl-amino]propanoic acid CAS Name: 3-[(4-methoxyphenyl)sulfonyl-[(1-phenylmethoxycarbonylcyclohexyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-methoxyphenyl)sulfonyl-[(1-phenylmethoxycarbonylcyclohexyl)methyl]amino]propanoic acid Traditional Name: 3-[(1-carbobenzoxycyclohexyl)methyl-(4-methoxyphenyl)sulfonyl-amino]propionic acid Formula: C25H31NO7S MolecularWeight: 489.58114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CC2(CCCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CC2(CCCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO7S/c1-32-21-10-12-22(13-11-21)34(30,31)26(17-14-23(27)28)19-25(15-6-3-7-16-25)24(29)33-18-20-8-4-2-5-9-20/h2,4-5,8-13H,3,6-7,14-19H2,1H3,(H,27,28)