6-[[4,5-bis(bromanyl)-1-methyl-pyrrol-2-yl]carbonylamino]-3-ethanoyl-3-oxidanyl-hexanoic acid

Systemtic Name: 6-[[4,5-bis(bromanyl)-1-methyl-pyrrol-2-yl]carbonylamino]-3-ethanoyl-3-oxidanyl-hexanoic acid Openeye Name: 3-acetyl-6-[(4,5-dibromo-1-methyl-pyrrole-2-carbonyl)amino]-3-hydroxy-hexanoic acid CAS Name: 3-acetyl-6-[[(4,5-dibromo-1-methyl-2-pyrrolyl)-oxomethyl]amino]-3-hydroxyhexanoic acid IUPAC Name: 3-acetyl-6-[(4,5-dibromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxyhexanoic acid Traditional Name: 3-acetyl-6-[(4,5-dibromo-1-methyl-pyrrole-2-carbonyl)amino]-3-hydroxy-hexanoic acid Formula: C14H18Br2N2O5 MolecularWeight: 454.11112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCNC(=O)C1=CC(=C(N1C)Br)Br)(CC(=O)O)O

Isomeric SMILES

CC(=O)C(CCCNC(=O)C1=CC(=C(N1C)Br)Br)(CC(=O)O)O

InChI

InChI=1S/C14H18Br2N2O5/c1-8(19)14(23,7-11(20)21)4-3-5-17-13(22)10-6-9(15)12(16)18(10)2/h6,23H,3-5,7H2,1-2H3,(H,17,22)(H,20,21)