[(2S)-1-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[[(1S)-2-amino-2-keto-1-methylol-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]ammonium Formula: C12H18N3O4+ MolecularWeight: 268.28902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CO)C(=O)N)[NH3+])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CO)C(=O)N)[NH3+])O

InChI

InChI=1S/C12H17N3O4/c13-9(5-7-1-3-8(17)4-2-7)12(19)15-10(6-16)11(14)18/h1-4,9-10,16-17H,5-6,13H2,(H2,14,18)(H,15,19)/p+1/t9-,10-/m0/s1