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

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-4-(methylthio)butanoyl]amino]-3-phenyl-propionate Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1