[1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: [1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid [1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid [2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O8S MolecularWeight: 455.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC(=O)NC1CC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)OC(C)C(=O)NC(=O)NC1CC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H25N3O8S/c1-11(18(24)30-12(2)17(23)21-19(25)20-13-4-5-13)22-31(26,27)14-6-7-15-16(10-14)29-9-3-8-28-15/h6-7,10-13,22H,3-5,8-9H2,1-2H3,(H2,20,21,23,25)/t11-,12?/m0/s1