(2S)-2-(carboxycarbonylamino)-3-[(3-methoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: (2S)-2-(carboxycarbonylamino)-3-[(3-methoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: (2S)-3-[(3-methoxyphenyl)methylsulfanyl]-2-(oxaloamino)propanoic acid CAS Name: (2S)-3-[(3-methoxyphenyl)methylthio]-2-(oxaloamino)propanoic acid IUPAC Name: (2S)-3-[(3-methoxyphenyl)methylsulfanyl]-2-(oxaloamino)propanoic acid Traditional Name: (2S)-3-(m-anisylthio)-2-(oxaloamino)propionic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSCC(C(=O)O)NC(=O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CSC[C@H](C(=O)O)NC(=O)C(=O)O

InChI

InChI=1S/C13H15NO6S/c1-20-9-4-2-3-8(5-9)6-21-7-10(12(16)17)14-11(15)13(18)19/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t10-/m1/s1