4-[[3-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)methylsulfonylamino]-2-oxidanylidene-propyl]amino]butanoic acid

Systemtic Name: 4-[[3-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)methylsulfonylamino]-2-oxidanylidene-propyl]amino]butanoic acid Openeye Name: 4-[[3-[(6-benzyloxy-2,2-dimethyl-chroman-4-yl)methylsulfonylamino]-2-oxo-propyl]amino]butanoic acid CAS Name: 4-[[3-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-yl)methylsulfonylamino]-2-oxopropyl]amino]butanoic acid IUPAC Name: 4-[[3-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)methylsulfonylamino]-2-oxopropyl]amino]butanoic acid Traditional Name: 4-[[3-[(6-benzoxy-2,2-dimethyl-chroman-4-yl)methylsulfonylamino]-2-keto-propyl]amino]butyric acid Formula: C26H34N2O7S MolecularWeight: 518.62236

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)CS(=O)(=O)NCC(=O)CNCCCC(=O)O)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)CS(=O)(=O)NCC(=O)CNCCCC(=O)O)C

InChI

InChI=1S/C26H34N2O7S/c1-26(2)14-20(18-36(32,33)28-16-21(29)15-27-12-6-9-25(30)31)23-13-22(10-11-24(23)35-26)34-17-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20,27-28H,6,9,12,14-18H2,1-2H3,(H,30,31)