methyl (2S)-2-(2-cyclopentylsulfanylethanoylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-(2-cyclopentylsulfanylethanoylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(2-cyclopentylsulfanylacetyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-(cyclopentylthio)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-cyclopentylsulfanylacetyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-(cyclopentylthio)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC3CCCC3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CSC3CCCC3

InChI

InChI=1S/C19H24N2O3S/c1-24-19(23)17(21-18(22)12-25-14-6-2-3-7-14)10-13-11-20-16-9-5-4-8-15(13)16/h4-5,8-9,11,14,17,20H,2-3,6-7,10,12H2,1H3,(H,21,22)/t17-/m0/s1