(2S)-4-methylsulfanyl-2-[[(2S)-2-(methylsulfanylmethyl)-3-phenyl-propanoyl]amino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(methylsulfanylmethyl)-3-phenyl-propanoyl]amino]butanoic acid Openeye Name: (2S)-2-[[(2S)-2-benzyl-3-methylsulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[(2S)-2-[(methylthio)methyl]-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-benzyl-3-methylsulfanylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-benzyl-3-(methylthio)propanoyl]amino]-4-(methylthio)butyric acid Formula: C16H23NO3S2 MolecularWeight: 341.48872

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CSC

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)CSC

InChI

InChI=1S/C16H23NO3S2/c1-21-9-8-14(16(19)20)17-15(18)13(11-22-2)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,17,18)(H,19,20)/t13-,14+/m1/s1