[1-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [1-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [1-benzyl-2-[[2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]ammonium CAS Name: [1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [1-benzyl-2-[[2-(carboxymethylamino)-2-keto-ethyl]amino]-2-keto-ethyl]ammonium Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC(=O)NCC(=O)O)[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC(=O)NCC(=O)O)[NH3+]

InChI

InChI=1S/C13H17N3O4/c14-10(6-9-4-2-1-3-5-9)13(20)16-7-11(17)15-8-12(18)19/h1-5,10H,6-8,14H2,(H,15,17)(H,16,20)(H,18,19)/p+1