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

Systemtic Name: methyl 2-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(1-amino-3-methylsulfanyl-propyl)oxazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-[1-amino-3-(methylthio)propyl]-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-[1-amino-3-(methylthio)propyl]oxazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S2/c1-25-19(24)16(12-28-11-13-6-4-3-5-7-13)21-17(23)15-10-26-18(22-15)14(20)8-9-27-2/h3-7,10,14,16H,8-9,11-12,20H2,1-2H3,(H,21,23)