[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl] 4-(2-azanylpyrrolidin-1-yl)butanoate

Systemtic Name: [5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl] 4-(2-azanylpyrrolidin-1-yl)butanoate Openeye Name: [6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl] 4-(2-aminopyrrolidin-1-yl)butanoate CAS Name: 4-(2-amino-1-pyrrolidinyl)butanoic acid [5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl] ester IUPAC Name: [5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl] 4-(2-aminopyrrolidin-1-yl)butanoate Traditional Name: 4-(2-aminopyrrolidino)butyric acid [6-(tert-butoxycarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl] ester Formula: C22H30N4O6 MolecularWeight: 446.4968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)OC(=O)CCCN3CCCC3N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)OC(=O)CCCN3CCCC3N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N4O6/c1-13-14(24-20(29)32-22(2,3)4)9-10-15-18(13)19(28)31-21(25-15)30-17(27)8-6-12-26-11-5-7-16(26)23/h9-10,16H,5-8,11-12,23H2,1-4H3,(H,24,29)