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

Systemtic Name: ethyl 2-[[2-(1-azanylbutyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(1-aminobutyl)oxazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-aminobutyl)-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-aminobutyl)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:

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

Isomeric SMILES

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

InChI

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