(2S)-2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1,5-dimethylindole-2-carbonyl)amino]-4-(methylthio)butyrate Formula: C16H19N2O3S- MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CCSC)C(=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)N[C@@H](CCSC)C(=O)[O-])C

InChI

InChI=1S/C16H20N2O3S/c1-10-4-5-13-11(8-10)9-14(18(13)2)15(19)17-12(16(20)21)6-7-22-3/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,19)(H,20,21)/p-1/t12-/m0/s1