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

Systemtic Name: ethyl 2-[[2-(1-azanyl-2-methyl-propyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(1-amino-2-methyl-propyl)oxazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-amino-2-methylpropyl)-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-amino-2-methyl-propyl)oxazole-4-carbonyl]amino]-3-(benzylthio)propionic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-4-26-20(25)16(12-28-11-14-8-6-5-7-9-14)22-18(24)15-10-27-19(23-15)17(21)13(2)3/h5-10,13,16-17H,4,11-12,21H2,1-3H3,(H,22,24)