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

Systemtic Name: (4S)-4-azaniumyl-5-[[(2R)-3-(4-hydroxyphenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: (4S)-4-azaniumyl-5-[[(1R)-1-[(4-hydroxyphenyl)methyl]-2-oxido-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: (4S)-4-ammonio-5-[[(2R)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: (4S)-4-azaniumyl-5-[[(2R)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: (4S)-4-ammonio-5-[[(1R)-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)C(CCC(=O)[O-])[NH3+])O

Isomeric SMILES

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

InChI

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