2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]butanedioic acid

Systemtic Name: 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]butanedioic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]butanedioic acid CAS Name: 2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl]amino]butanedioic acid IUPAC Name: 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]butanedioic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]succinic acid Formula: C18H21N3O8 MolecularWeight: 407.37464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O8/c1-8-9(21-17(27)29-18(2,3)4)5-6-10-13(8)15(26)28-16(19-10)20-11(14(24)25)7-12(22)23/h5-6,11H,7H2,1-4H3,(H,19,20)(H,21,27)(H,22,23)(H,24,25)