(2S)-2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2S)-2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2S)-2-[tert-butoxycarbonyl(p-tolylmethyl)amino]-3-sulfanyl-propanoic acid CAS Name: (2S)-3-mercapto-2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2S)-2-[tert-butoxycarbonyl-(4-methylbenzyl)amino]-3-mercapto-propionic acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C(CS)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN([C@H](CS)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H23NO4S/c1-11-5-7-12(8-6-11)9-17(13(10-22)14(18)19)15(20)21-16(2,3)4/h5-8,13,22H,9-10H2,1-4H3,(H,18,19)/t13-/m1/s1