3-azaniumyl-4-[[(2S)-3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-azaniumyl-4-[[(2S)-3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-azaniumyl-4-[[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 3-ammonio-4-[[(2S)-3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoate IUPAC Name: 3-azaniumyl-4-[[(2S)-3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: 3-ammonio-4-keto-4-[[(1S)-2-keto-2-methoxy-1-veratryl-ethyl]amino]butyrate Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)C(CC(=O)[O-])[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@@H](C(=O)OC)NC(=O)C(CC(=O)[O-])[NH3+])OC

InChI

InChI=1S/C16H22N2O7/c1-23-12-5-4-9(7-13(12)24-2)6-11(16(22)25-3)18-15(21)10(17)8-14(19)20/h4-5,7,10-11H,6,8,17H2,1-3H3,(H,18,21)(H,19,20)/t10?,11-/m0/s1