propan-2-yl 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4S/c1-13(2)25-20(24)10-18(16-8-6-5-7-9-16)21-19(23)12-27-11-17-14(3)22-26-15(17)4/h5-9,13,18H,10-12H2,1-4H3,(H,21,23)