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(2S)-2-(3-phenylpropanoylamino)-3-sulfanyl-propanoic acid

(2S)-2-(3-phenylpropanoylamino)-3-sulfanyl-propanoic acid

Systemtic Name:(2S)-2-(3-phenylpropanoylamino)-3-sulfanyl-propanoic acid
Openeye Name:(2S)-2-(3-phenylpropanoylamino)-3-sulfanyl-propanoic acid
CAS Name:(2S)-3-mercapto-2-[(1-oxo-3-phenylpropyl)amino]propanoic acid
IUPAC Name:(2S)-2-(3-phenylpropanoylamino)-3-sulfanylpropanoic acid
Traditional Name:(2S)-2-(hydrocinnamoylamino)-3-mercapto-propionic acid
Formula: C12H15NO3S
MolecularWeight: 253.3174
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CS)C(=O)O


Isomeric SMILES

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


InChI

InChI=1S/C12H15NO3S/c14-11(13-10(8-17)12(15)16)7-6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1


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