2-[[(2R)-2-(phenylmethyl)-3-propanoylsulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-(phenylmethyl)-3-propanoylsulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-benzyl-3-propanoylsulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-1-oxo-2-[(1-oxopropylthio)methyl]-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-benzyl-3-propanoylsulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-benzyl-3-(propionylthio)propanoyl]amino]acetic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)O

Isomeric SMILES

CCC(=O)SC[C@H](CC1=CC=CC=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C15H19NO4S/c1-2-14(19)21-10-12(15(20)16-9-13(17)18)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,20)(H,17,18)/t12-/m0/s1