2-[(2-methylpropan-2-yl)oxycarbonyl-[4-(phenylmethylsulfanyl)butyl]amino]ethanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-[4-(phenylmethylsulfanyl)butyl]amino]ethanoic acid Openeye Name: 2-[4-benzylsulfanylbutyl(tert-butoxycarbonyl)amino]acetic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[4-(phenylmethylthio)butyl]amino]acetic acid IUPAC Name: 2-[4-benzylsulfanylbutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid Traditional Name: 2-[4-(benzylthio)butyl-tert-butoxycarbonyl-amino]acetic acid Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCSCC1=CC=CC=C1)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCSCC1=CC=CC=C1)CC(=O)O

InChI

InChI=1S/C18H27NO4S/c1-18(2,3)23-17(22)19(13-16(20)21)11-7-8-12-24-14-15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3,(H,20,21)