2-[5-[N,N'-di(propan-2-yl)carbamimidoyl]-2,4,6-tris(oxidanylidene)-3-propyl-1,3-diazinan-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[5-[N,N'-di(propan-2-yl)carbamimidoyl]-2,4,6-tris(oxidanylidene)-3-propyl-1,3-diazinan-1-yl]-3-phenyl-propanoic acid Openeye Name: 2-[5-(N,N'-diisopropylcarbamimidoyl)-2,4,6-trioxo-3-propyl-hexahydropyrimidin-1-yl]-3-phenyl-propanoic acid CAS Name: 3-phenyl-2-[2,4,6-trioxo-5-[(propan-2-ylamino)-propan-2-yliminomethyl]-3-propyl-1,3-diazinan-1-yl]propanoic acid IUPAC Name: 2-[5-[N,N'-di(propan-2-yl)carbamimidoyl]-2,4,6-trioxo-3-propyl-1,3-diazinan-1-yl]-3-phenylpropanoic acid Traditional Name: 2-[5-(N,N'-diisopropylamidino)-2,4,6-triketo-3-propyl-hexahydropyrimidin-1-yl]-3-phenyl-propionic acid Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(C(=O)N(C1=O)C(CC2=CC=CC=C2)C(=O)O)C(=NC(C)C)NC(C)C

Isomeric SMILES

CCCN1C(=O)C(C(=O)N(C1=O)C(CC2=CC=CC=C2)C(=O)O)C(=NC(C)C)NC(C)C

InChI

InChI=1S/C23H32N4O5/c1-6-12-26-20(28)18(19(24-14(2)3)25-15(4)5)21(29)27(23(26)32)17(22(30)31)13-16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3,(H,24,25)(H,30,31)