(2S)-4-methylsulfanyl-2-[2-(2-phenylindol-1-yl)ethanoylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-(2-phenylindol-1-yl)ethanoylamino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(2-phenyl-1-indolyl)ethyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[[2-(2-phenylindol-1-yl)acetyl]amino]butyric acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-27-12-11-17(21(25)26)22-20(24)14-23-18-10-6-5-9-16(18)13-19(23)15-7-3-2-4-8-15/h2-10,13,17H,11-12,14H2,1H3,(H,22,24)(H,25,26)/t17-/m0/s1