(2S)-2-(2-indol-1-ylethanoylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-(2-indol-1-ylethanoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(2-indol-1-ylacetyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-(1-indolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(2-indol-1-ylacetyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(2-indol-1-ylacetyl)amino]-4-(methylthio)butyric acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1C=CC2=CC=CC=C21

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CN1C=CC2=CC=CC=C21

InChI

InChI=1S/C15H18N2O3S/c1-21-9-7-12(15(19)20)16-14(18)10-17-8-6-11-4-2-3-5-13(11)17/h2-6,8,12H,7,9-10H2,1H3,(H,16,18)(H,19,20)/t12-/m0/s1