2-(ethanoylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]pentanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]pentanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-[6-(tert-butoxycarbonylamino)-3-pyridyl]pentanoic acid CAS Name: 2-[(acetylthio)methyl]-3-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]pentanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]pentanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-[6-(tert-butoxycarbonylamino)-3-pyridyl]valeric acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN=C(C=C1)NC(=O)OC(C)(C)C)C(CSC(=O)C)C(=O)O

Isomeric SMILES

CCC(C1=CN=C(C=C1)NC(=O)OC(C)(C)C)C(CSC(=O)C)C(=O)O

InChI

InChI=1S/C18H26N2O5S/c1-6-13(14(16(22)23)10-26-11(2)21)12-7-8-15(19-9-12)20-17(24)25-18(3,4)5/h7-9,13-14H,6,10H2,1-5H3,(H,22,23)(H,19,20,24)