3-[[1-azanyl-2-[[1-azanyl-1-(2-carboxyethylimino)-2-methyl-propan-2-yl]diazenyl]-2-methyl-propylidene]amino]propanoic acid dihydrate

Systemtic Name: 3-[[1-azanyl-2-[[1-azanyl-1-(2-carboxyethylimino)-2-methyl-propan-2-yl]diazenyl]-2-methyl-propylidene]amino]propanoic acid dihydrate Openeye Name: 3-[[1-amino-2-[2-amino-2-(2-carboxyethylimino)-1,1-dimethyl-ethyl]azo-2-methyl-propylidene]amino]propanoic acid dihydrate CAS Name: 3-[[1-amino-2-[1-amino-1-(2-carboxyethylimino)-2-methylpropan-2-yl]azo-2-methylpropylidene]amino]propanoic acid dihydrate IUPAC Name: 3-[[1-amino-2-[[1-amino-1-(2-carboxyethylimino)-2-methylpropan-2-yl]diazenyl]-2-methylpropylidene]amino]propanoic acid dihydrate Traditional Name: 3-[[1-amino-2-[2-amino-2-(2-carboxyethylimino)-1,1-dimethyl-ethyl]azo-2-methyl-propylidene]amino]propionic acid dihydrate Formula: C14H30N6O6 MolecularWeight: 378.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=NCCC(=O)O)N)N=NC(C)(C)C(=NCCC(=O)O)N.O.O

Isomeric SMILES

CC(C)(C(=NCCC(=O)O)N)N=NC(C)(C)C(=NCCC(=O)O)N.O.O

InChI

InChI=1S/C14H26N6O4.2H2O/c1-13(2,11(15)17-7-5-9(21)22)19-20-14(3,4)12(16)18-8-6-10(23)24;;/h5-8H2,1-4H3,(H2,15,17)(H2,16,18)(H,21,22)(H,23,24);2*1H2