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

Systemtic Name: methyl 2-[[2-(1-azanyl-2-methyl-butyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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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)OC)N

Isomeric SMILES

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

InChI

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