(2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]propanoic acid; morpholine-2-carboxamide

Systemtic Name: (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]propanoic acid; morpholine-2-carboxamide Openeye Name: (2S)-2-[[6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid; morpholine-2-carboxamide CAS Name: (2S)-2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid; 2-morpholinecarboxamide IUPAC Name: (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid; morpholine-2-carboxamide Traditional Name: (2S)-2-[[6-(tert-butoxycarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]propionic acid; morpholine-2-carboxamide Formula: C22H31N5O8 MolecularWeight: 493.51024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)OC(C)(C)C.C1COC(CN1)C(=O)N

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](C)C(=O)O)NC(=O)OC(C)(C)C.C1COC(CN1)C(=O)N

InChI

InChI=1S/C17H21N3O6.C5H10N2O2/c1-8-10(20-16(24)26-17(3,4)5)6-7-11-12(8)14(23)25-15(19-11)18-9(2)13(21)22;6-5(8)4-3-7-1-2-9-4/h6-7,9H,1-5H3,(H,18,19)(H,20,24)(H,21,22);4,7H,1-3H2,(H2,6,8)/t9-;/m0./s1