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

Systemtic Name: 3-[[(2S)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-benzyl-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-benzyl-3-mercapto-propanoyl]amino]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](CS)C(=O)NCCC(=O)O

InChI

InChI=1S/C13H17NO3S/c15-12(16)6-7-14-13(17)11(9-18)8-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,14,17)(H,15,16)/t11-/m1/s1