(2R)-4-methylsulfanyl-2-[[(2S)-2-phenylbutanoyl]amino]butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-[[(2S)-2-phenylbutanoyl]amino]butanoate Openeye Name: (2R)-4-methylsulfanyl-2-[[(2S)-2-phenylbutanoyl]amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[(2S)-1-oxo-2-phenylbutyl]amino]butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-[[(2S)-2-phenylbutanoyl]amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[[(2S)-2-phenylbutanoyl]amino]butyrate Formula: C15H20NO3S- MolecularWeight: 294.3892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C15H21NO3S/c1-3-12(11-7-5-4-6-8-11)14(17)16-13(15(18)19)9-10-20-2/h4-8,12-13H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)/p-1/t12-,13+/m0/s1