2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(1H-indol-3-yl)ethylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-(methylthio)butyric acid Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCCC1=CNC2=CC=CC=C21

Isomeric SMILES

CSCCC(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)