2-[2-[[(5R)-1-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methylideneamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[(5R)-1-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methylideneamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[(5R)-1-butyl-2,4,6-trioxo-hexahydropyrimidin-5-yl]methyleneamino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(5R)-1-butyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[(5R)-1-butyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[(5R)-1-butyl-2,4,6-triketo-hexahydropyrimidin-5-yl]methyleneamino]acetyl]amino]acetic acid Formula: C13H18N4O6 MolecularWeight: 326.30522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=O)C=NCC(=O)NCC(=O)O

Isomeric SMILES

CCCCN1C(=O)[C@@H](C(=O)NC1=O)C=NCC(=O)NCC(=O)O

InChI

InChI=1S/C13H18N4O6/c1-2-3-4-17-12(22)8(11(21)16-13(17)23)5-14-6-9(18)15-7-10(19)20/h5,8H,2-4,6-7H2,1H3,(H,15,18)(H,19,20)(H,16,21,23)/t8-/m1/s1