methyl 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H26N2O7S/c1-29-22(26)15-18(16-6-3-2-4-7-16)24-21(25)10-11-23-32(27,28)17-8-9-19-20(14-17)31-13-5-12-30-19/h2-4,6-9,14,18,23H,5,10-13,15H2,1H3,(H,24,25)