methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-oxidanylidene-3-phenylazanyl-2H-1,2-oxazol-4-yl)propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-oxidanylidene-3-phenylazanyl-2H-1,2-oxazol-4-yl)propanoate Openeye Name: methyl (2S)-3-(3-anilino-5-oxo-2H-isoxazol-4-yl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-(3-anilino-5-oxo-2H-isoxazol-4-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-anilino-5-oxo-2H-1,2-oxazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-(3-anilino-5-keto-3-isoxazolin-4-yl)-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C(NOC1=O)NC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=C(NOC1=O)NC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H23N3O6/c1-18(2,3)26-17(24)20-13(16(23)25-4)10-12-14(21-27-15(12)22)19-11-8-6-5-7-9-11/h5-9,13,19,21H,10H2,1-4H3,(H,20,24)/t13-/m0/s1