3-[[(2R)-2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]propanoate

Systemtic Name: 3-[[(2R)-2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]propanoate Openeye Name: 3-[[(2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]propanoate CAS Name: 3-[[(2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]propanoate IUPAC Name: 3-[[(2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]propanoate Traditional Name: 3-[[(2R)-2-[(5-cyano-4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propanoyl]amino]propionate Formula: C14H17N4O4S- MolecularWeight: 337.37418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SC(C)C(=O)NCCC(=O)[O-])C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)S[C@H](C)C(=O)NCCC(=O)[O-])C#N

InChI

InChI=1S/C14H18N4O4S/c1-3-4-10-9(7-15)13(22)18-14(17-10)23-8(2)12(21)16-6-5-11(19)20/h8H,3-6H2,1-2H3,(H,16,21)(H,19,20)(H,17,18,22)/p-1/t8-/m1/s1