(3S)-2-[[(2R)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-[[(2R)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-[[(1R)-1-methyl-2-oxido-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[[(2R)-1-oxido-1-oxopropan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-[[(2R)-1-oxido-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[[(1R)-2-keto-1-methyl-2-oxido-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C14H14N2O5-2 MolecularWeight: 290.27136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)[O-])NC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)[O-]

InChI

InChI=1S/C14H16N2O5/c1-8(12(17)18)15-14(21)16-7-10-5-3-2-4-9(10)6-11(16)13(19)20/h2-5,8,11H,6-7H2,1H3,(H,15,21)(H,17,18)(H,19,20)/p-2/t8-,11+/m1/s1