4,5-diaminocarbonyl-7-azanyl-6-[2-benzamido-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-3-yl]oxy-6-methyl-7-oxidanylidene-heptanoic acid

Systemtic Name: 4,5-diaminocarbonyl-7-azanyl-6-[2-benzamido-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-3-yl]oxy-6-methyl-7-oxidanylidene-heptanoic acid Openeye Name: 7-amino-6-[1-(1-benzamido-2-oxo-ethyl)-2,3,4-trihydroxy-butoxy]-4,5-dicarbamoyl-6-methyl-7-oxo-heptanoic acid CAS Name: 7-amino-6-(2-benzamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxy-4,5-dicarbamoyl-6-methyl-7-oxoheptanoic acid IUPAC Name: 7-amino-6-(2-benzamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxy-4,5-dicarbamoyl-6-methyl-7-oxoheptanoic acid Traditional Name: 7-amino-6-[1-(1-benzamido-2-keto-ethyl)-2,3,4-trihydroxy-butoxy]-4,5-dicarbamoyl-7-keto-6-methyl-enanthic acid Formula: C23H32N4O11 MolecularWeight: 540.52038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(CCC(=O)O)C(=O)N)C(=O)N)(C(=O)N)OC(C(C=O)NC(=O)C1=CC=CC=C1)C(C(CO)O)O

Isomeric SMILES

CC(C(C(CCC(=O)O)C(=O)N)C(=O)N)(C(=O)N)OC(C(C=O)NC(=O)C1=CC=CC=C1)C(C(CO)O)O

InChI

InChI=1S/C23H32N4O11/c1-23(22(26)37,16(20(25)35)12(19(24)34)7-8-15(31)32)38-18(17(33)14(30)10-29)13(9-28)27-21(36)11-5-3-2-4-6-11/h2-6,9,12-14,16-18,29-30,33H,7-8,10H2,1H3,(H2,24,34)(H2,25,35)(H2,26,37)(H,27,36)(H,31,32)