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

Systemtic Name: ethyl 2-[[2-(1-azanyl-2-methyl-butyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(1-amino-2-methyl-butyl)oxazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-amino-2-methylbutyl)-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-amino-2-methyl-butyl)oxazole-4-carbonyl]amino]-3-(benzylthio)propionic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=NC(=CO1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC)N

Isomeric SMILES

CCC(C)C(C1=NC(=CO1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC)N

InChI

InChI=1S/C21H29N3O4S/c1-4-14(3)18(22)20-24-16(11-28-20)19(25)23-17(21(26)27-5-2)13-29-12-15-9-7-6-8-10-15/h6-11,14,17-18H,4-5,12-13,22H2,1-3H3,(H,23,25)