3-[[4-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]propanoic acid; octan-1-amine

Systemtic Name: 3-[[4-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]propanoic acid; octan-1-amine Openeye Name: 3-[[4-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]propanoic acid; octan-1-amine CAS Name: 3-[[4-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]propanoic acid; 1-octanamine IUPAC Name: 3-[[4-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]propanoic acid; octan-1-amine Traditional Name: 3-[[4-(2-carboxyethylamino)-s-triazin-2-yl]amino]propionic acid; octylamine Formula: C17H32N6O4 MolecularWeight: 384.47378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN.C1=NC(=NC(=N1)NCCC(=O)O)NCCC(=O)O

Isomeric SMILES

CCCCCCCCN.C1=NC(=NC(=N1)NCCC(=O)O)NCCC(=O)O

InChI

InChI=1S/C9H13N5O4.C8H19N/c15-6(16)1-3-10-8-12-5-13-9(14-8)11-4-2-7(17)18;1-2-3-4-5-6-7-8-9/h5H,1-4H2,(H,15,16)(H,17,18)(H2,10,11,12,13,14);2-9H2,1H3