methyl (2S)-2-(2-indol-1-ylethanoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(2-indol-1-ylethanoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(2-indol-1-ylacetyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(1-indolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-indol-1-ylacetyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-indol-1-ylacetyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CN1C=CC2=CC=CC=C21

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CN1C=CC2=CC=CC=C21

InChI

InChI=1S/C16H20N2O3S/c1-21-16(20)13(8-10-22-2)17-15(19)11-18-9-7-12-5-3-4-6-14(12)18/h3-7,9,13H,8,10-11H2,1-2H3,(H,17,19)/t13-/m0/s1