methyl (2S)-4-methyl-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C16H25N3O4S MolecularWeight: 355.4524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S/c1-5-6-11-8-13(20)19-16(17-11)24-9-14(21)18-12(7-10(2)3)15(22)23-4/h8,10,12H,5-7,9H2,1-4H3,(H,18,21)(H,17,19,20)/t12-/m0/s1