(2S)-2-azaniumyl-5-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-2-azaniumyl-5-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-2-azaniumyl-5-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-oxido-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: (2S)-2-ammonio-5-[[(2S)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: (2S)-2-azaniumyl-5-[[(2S)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: (2S)-2-ammonio-5-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-oxido-ethyl]amino]-5-keto-valerate Formula: C14H17N2O6- MolecularWeight: 309.29458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+])O

InChI

InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)/p-1/t10-,11-/m0/s1