(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-4-(methylthio)butanoyl]amino]-3-(1H-indol-3-yl)propionate Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-])[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)[O-])[NH3+]

InChI

InChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)/t12-,14-/m0/s1