3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-phenoxyphenyl)methylsulfanyl]butanoic acid

Systemtic Name: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-phenoxyphenyl)methylsulfanyl]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-methyl-3-[(3-phenoxyphenyl)methylsulfanyl]butanoic acid CAS Name: 3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(3-phenoxyphenyl)methylthio]butanoic acid IUPAC Name: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-phenoxyphenyl)methylsulfanyl]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-methyl-3-[(3-phenoxybenzyl)thio]butyric acid Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C23H29NO5S/c1-22(2,3)29-21(27)24-19(20(25)26)23(4,5)30-15-16-10-9-13-18(14-16)28-17-11-7-6-8-12-17/h6-14,19H,15H2,1-5H3,(H,24,27)(H,25,26)