2-[[(2S)-2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-(mercaptomethyl)-3-(4-methoxyphenyl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-(mercaptomethyl)-3-(4-methoxyphenyl)propanoyl]amino]acetic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C[C@H](CS)C(=O)NCC(=O)O

InChI

InChI=1S/C13H17NO4S/c1-18-11-4-2-9(3-5-11)6-10(8-19)13(17)14-7-12(15)16/h2-5,10,19H,6-8H2,1H3,(H,14,17)(H,15,16)/t10-/m1/s1