methyl (2S)-2-[2-(2-indazol-2-ylethanoylamino)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(2-indazol-2-ylethanoylamino)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-[(2-indazol-2-ylacetyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[[2-(2-indazolyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(2-indazol-2-ylacetyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[(2-indazol-2-ylacetyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)CN1C=C2C=CC=CC2=N1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)CN1C=C2C=CC=CC2=N1

InChI

InChI=1S/C17H22N4O4S/c1-25-17(24)14(7-8-26-2)19-15(22)9-18-16(23)11-21-10-12-5-3-4-6-13(12)20-21/h3-6,10,14H,7-9,11H2,1-2H3,(H,18,23)(H,19,22)/t14-/m0/s1