(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-4-(methylthio)butanoyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-])[NH3+]

InChI

InChI=1S/C14H20N2O4S/c1-21-7-6-11(15)13(18)16-12(14(19)20)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1