(2S)-4-methylsulfanyl-2-(3-phenylpropylcarbamoylamino)butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-(3-phenylpropylcarbamoylamino)butanoate Openeye Name: (2S)-4-methylsulfanyl-2-(3-phenylpropylcarbamoylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(3-phenylpropylamino)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-(3-phenylpropylcarbamoylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(3-phenylpropylcarbamoylamino)butyrate Formula: C15H21N2O3S- MolecularWeight: 309.40384

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NCCCC1=CC=CC=C1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)NCCCC1=CC=CC=C1

InChI

InChI=1S/C15H22N2O3S/c1-21-11-9-13(14(18)19)17-15(20)16-10-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,19)(H2,16,17,20)/p-1/t13-/m0/s1