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

Systemtic Name: 3-azaniumyl-4-[[(2S)-3-(2-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-azaniumyl-4-[[(1S)-1-[(2-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 3-ammonio-4-[[(2S)-3-(2-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoate IUPAC Name: 3-azaniumyl-4-[[(2S)-3-(2-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: 3-ammonio-4-keto-4-[[(1S)-2-keto-2-methoxy-1-salicyl-ethyl]amino]butyrate Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1O)NC(=O)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1O)NC(=O)C(CC(=O)[O-])[NH3+]

InChI

InChI=1S/C14H18N2O6/c1-22-14(21)10(6-8-4-2-3-5-11(8)17)16-13(20)9(15)7-12(18)19/h2-5,9-10,17H,6-7,15H2,1H3,(H,16,20)(H,18,19)/t9?,10-/m0/s1