2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylsulfanyl-propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylsulfanyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(1-naphthylsulfanyl)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-naphthalenylthio)propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylsulfanylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1-naphthylthio)propionic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=CC=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=CC=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C18H21NO4S/c1-18(2,3)23-17(22)19-14(16(20)21)11-24-15-10-6-8-12-7-4-5-9-13(12)15/h4-10,14H,11H2,1-3H3,(H,19,22)(H,20,21)