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

Systemtic Name: 2-[4-(1H-indol-3-yl)butanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[4-(1H-indol-3-yl)butanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[4-(1H-indol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[4-(1H-indol-3-yl)butanoylamino]-4-(methylthio)butyric acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCCC1=CNC2=CC=CC=C21

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C17H22N2O3S/c1-23-10-9-15(17(21)22)19-16(20)8-4-5-12-11-18-14-7-3-2-6-13(12)14/h2-3,6-7,11,15,18H,4-5,8-10H2,1H3,(H,19,20)(H,21,22)