(phenylmethyl) 2-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-oxazol-4-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-oxazol-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: benzyl 2-[[2-(1-amino-3-methylsulfanyl-propyl)oxazole-4-carbonyl]amino]-3-methyl-butanoate CAS Name: 2-[[[2-[1-amino-3-(methylthio)propyl]-4-oxazolyl]-oxomethyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-[1-amino-3-(methylthio)propyl]oxazole-4-carbonyl]amino]-3-methyl-butyric acid benzyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C2=COC(=N2)C(CCSC)N

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C2=COC(=N2)C(CCSC)N

InChI

InChI=1S/C20H27N3O4S/c1-13(2)17(20(25)27-11-14-7-5-4-6-8-14)23-18(24)16-12-26-19(22-16)15(21)9-10-28-3/h4-8,12-13,15,17H,9-11,21H2,1-3H3,(H,23,24)