(2S)-3-methylsulfanyl-2-[[(2S)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-methylsulfanyl-2-[[(2S)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-benzyl-3-sulfanyl-propanoyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3-(methylthio)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-benzyl-3-mercapto-propanoyl]amino]-3-(methylthio)propionic acid Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S2/c1-20-9-12(14(17)18)15-13(16)11(8-19)7-10-5-3-2-4-6-10/h2-6,11-12,19H,7-9H2,1H3,(H,15,16)(H,17,18)/t11-,12-/m1/s1