(2R)-2-[2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]butanoic acid

Systemtic Name: (2R)-2-[2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]butanoic acid Openeye Name: (2R)-2-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]butanoic acid CAS Name: (2R)-2-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: (2R)-2-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]butanoic acid Traditional Name: (2R)-2-[[2-[(5-cyano-4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]butyric acid Formula: C14H18N4O4S MolecularWeight: 338.38212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SCC(=O)NC(CC)C(=O)O)C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)SCC(=O)N[C@H](CC)C(=O)O)C#N

InChI

InChI=1S/C14H18N4O4S/c1-3-5-10-8(6-15)12(20)18-14(17-10)23-7-11(19)16-9(4-2)13(21)22/h9H,3-5,7H2,1-2H3,(H,16,19)(H,21,22)(H,17,18,20)/t9-/m1/s1