4-[[5-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)methylsulfonylamino]-2-oxidanylidene-pentyl]amino]butanoic acid

Systemtic Name: 4-[[5-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)methylsulfonylamino]-2-oxidanylidene-pentyl]amino]butanoic acid Openeye Name: 4-[[5-[(6-benzyloxy-2,2-dimethyl-chroman-4-yl)methylsulfonylamino]-2-oxo-pentyl]amino]butanoic acid CAS Name: 4-[[5-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-yl)methylsulfonylamino]-2-oxopentyl]amino]butanoic acid IUPAC Name: 4-[[5-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)methylsulfonylamino]-2-oxopentyl]amino]butanoic acid Traditional Name: 4-[[5-[(6-benzoxy-2,2-dimethyl-chroman-4-yl)methylsulfonylamino]-2-keto-pentyl]amino]butyric acid Formula: C28H38N2O7S MolecularWeight: 546.67552

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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)NCCCC(=O)CNCCCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O7S/c1-28(2)17-22(20-38(34,35)30-15-6-10-23(31)18-29-14-7-11-27(32)33)25-16-24(12-13-26(25)37-28)36-19-21-8-4-3-5-9-21/h3-5,8-9,12-13,16,22,29-30H,6-7,10-11,14-15,17-20H2,1-2H3,(H,32,33)