4-bromanyl-5-[[5-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-bromanyl-5-[[5-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-bromo-5-[5-[2-(tert-butoxycarbonylamino)-3-ethoxy-3-oxo-propyl]-2-hydroxy-anilino]-5-oxo-pentanoic acid CAS Name: 4-bromo-5-[5-[3-ethoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-2-hydroxyanilino]-5-oxopentanoic acid IUPAC Name: 4-bromo-5-[5-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-2-hydroxyanilino]-5-oxopentanoic acid Traditional Name: 4-bromo-5-[5-[2-(tert-butoxycarbonylamino)-3-ethoxy-3-keto-propyl]-2-hydroxy-anilino]-5-keto-valeric acid Formula: C21H29BrN2O8 MolecularWeight: 517.36756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)O)NC(=O)C(CCC(=O)O)Br)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)O)NC(=O)C(CCC(=O)O)Br)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29BrN2O8/c1-5-31-19(29)15(24-20(30)32-21(2,3)4)11-12-6-8-16(25)14(10-12)23-18(28)13(22)7-9-17(26)27/h6,8,10,13,15,25H,5,7,9,11H2,1-4H3,(H,23,28)(H,24,30)(H,26,27)