(2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-(1H-indol-3-yl)ethylamino]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-(methylthio)butyrate Formula: C16H20N3O3S- MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NCCC1=CNC2=CC=CC=C21

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)NCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C16H21N3O3S/c1-23-9-7-14(15(20)21)19-16(22)17-8-6-11-10-18-13-5-3-2-4-12(11)13/h2-5,10,14,18H,6-9H2,1H3,(H,20,21)(H2,17,19,22)/p-1/t14-/m0/s1