methyl (2R,3S)-3-methyl-2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-[(4-phenylphthalazin-1-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-4-15(2)20(23(28)29-3)24-19(27)14-30-22-18-13-9-8-12-17(18)21(25-26-22)16-10-6-5-7-11-16/h5-13,15,20H,4,14H2,1-3H3,(H,24,27)/t15-,20+/m0/s1