(3R)-3-(4-methoxyphenyl)-3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]propanoate

Systemtic Name: (3R)-3-(4-methoxyphenyl)-3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]propanoate Openeye Name: (3R)-3-(4-methoxyphenyl)-3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]propanoate CAS Name: (3R)-3-(4-methoxyphenyl)-3-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]propanoate IUPAC Name: (3R)-3-(4-methoxyphenyl)-3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]propanoate Traditional Name: (3R)-3-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-3-(4-methoxyphenyl)propionate Formula: C19H22N3O5S- MolecularWeight: 404.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC(CC(=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N[C@H](CC(=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H23N3O5S/c1-3-4-13-9-16(23)22-19(20-13)28-11-17(24)21-15(10-18(25)26)12-5-7-14(27-2)8-6-12/h5-9,15H,3-4,10-11H2,1-2H3,(H,21,24)(H,25,26)(H,20,22,23)/p-1/t15-/m1/s1