(2S)-2-acetamido-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-acetamido-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-acetamido-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-acetamido-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-acetamido-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-4-(methylthio)butyramide Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)CNC(=O)C(CCSC)NC(=O)C)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)CNC(=O)[C@H](CCSC)NC(=O)C)C

InChI

InChI=1S/C18H25N3O2S/c1-11-12(2)20-16-6-5-14(9-15(11)16)10-19-18(23)17(7-8-24-4)21-13(3)22/h5-6,9,17,20H,7-8,10H2,1-4H3,(H,19,23)(H,21,22)/t17-/m0/s1