methyl 2-[[2-(1-azanyl-2-oxidanyl-ethyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[[2-(1-azanyl-2-oxidanyl-ethyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(1-amino-2-hydroxy-ethyl)oxazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-amino-2-hydroxyethyl)-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-amino-2-hydroxyethyl)-1,3-oxazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-amino-2-hydroxy-ethyl)oxazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=COC(=N2)C(CO)N

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=COC(=N2)C(CO)N

InChI

InChI=1S/C17H21N3O5S/c1-24-17(23)14(10-26-9-11-5-3-2-4-6-11)19-15(22)13-8-25-16(20-13)12(18)7-21/h2-6,8,12,14,21H,7,9-10,18H2,1H3,(H,19,22)