(2S)-2-[2-(5-methoxyindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(5-methoxyindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(5-methoxy-1-indolyl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C16H19N2O4S- MolecularWeight: 335.39806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H20N2O4S/c1-22-12-3-4-14-11(9-12)5-7-18(14)10-15(19)17-13(16(20)21)6-8-23-2/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,17,19)(H,20,21)/p-1/t13-/m0/s1