2-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoic acid Openeye Name: 2-[6-(tert-butoxycarbonylamino)-3-methyl-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid CAS Name: 2-[3-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid IUPAC Name: 2-[3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid Traditional Name: 2-[6-(tert-butoxycarbonylamino)-7-keto-3-methyl-5,6-dihydro-2H-azepin-1-yl]acetic acid Formula: C14H22N2O5 MolecularWeight: 298.33488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(=O)N(C1)CC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CCC(C(=O)N(C1)CC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H22N2O5/c1-9-5-6-10(15-13(20)21-14(2,3)4)12(19)16(7-9)8-11(17)18/h5,10H,6-8H2,1-4H3,(H,15,20)(H,17,18)