methyl (2S)-2-[2-(2-indazol-1-ylethanoylamino)ethanoylamino]-4-methylsulfanyl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)CN1C2=CC=CC=C2C=N1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)CN1C2=CC=CC=C2C=N1

InChI

InChI=1S/C17H22N4O4S/c1-25-17(24)13(7-8-26-2)20-15(22)10-18-16(23)11-21-14-6-4-3-5-12(14)9-19-21/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,18,23)(H,20,22)/t13-/m0/s1