(2S)-2-azanyl-4-methylsulfanyl-N-[2-(5-oxidanyl-1H-indol-3-yl)ethyl]butanamide

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-N-[2-(5-oxidanyl-1H-indol-3-yl)ethyl]butanamide Openeye Name: (2S)-2-amino-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-amino-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-amino-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-amino-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-(methylthio)butyramide Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CNC2=C1C=C(C=C2)O)N

Isomeric SMILES

CSCC[C@@H](C(=O)NCCC1=CNC2=C1C=C(C=C2)O)N

InChI

InChI=1S/C15H21N3O2S/c1-21-7-5-13(16)15(20)17-6-4-10-9-18-14-3-2-11(19)8-12(10)14/h2-3,8-9,13,18-19H,4-7,16H2,1H3,(H,17,20)/t13-/m0/s1