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

Systemtic Name: 3-methoxy-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]butanoic acid Openeye Name: 2-[(tert-butoxycarbonylamino)-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-3-methoxy-butanoic acid CAS Name: 3-methoxy-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]butanoic acid IUPAC Name: 3-methoxy-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]amino]butanoic acid Traditional Name: 2-[(tert-butoxycarbonylamino)-(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]-3-methoxy-butyric acid Formula: C19H25N3O7 MolecularWeight: 407.4177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(C(C)OC)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(C(C)OC)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O7/c1-10-8-7-9-12-13(10)16(25)28-17(20-12)22(14(15(23)24)11(2)27-6)21-18(26)29-19(3,4)5/h7-9,11,14H,1-6H3,(H,21,26)(H,23,24)