methyl (2R)-2-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethoxy]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[2-(1,3-benzoxazol-2-ylthio)acetyl]oxyacetyl]amino]-4-methyl-valeric acid methyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C18H22N2O6S/c1-11(2)8-13(17(23)24-3)19-15(21)9-25-16(22)10-27-18-20-12-6-4-5-7-14(12)26-18/h4-7,11,13H,8-10H2,1-3H3,(H,19,21)/t13-/m1/s1