2-methyl-3-oxidanylidene-3-[3-oxidanylidene-1-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-(pentylamino)propoxy]-2-phenyl-propanoic acid

Systemtic Name: 2-methyl-3-oxidanylidene-3-[3-oxidanylidene-1-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-(pentylamino)propoxy]-2-phenyl-propanoic acid Openeye Name: 3-[1-[(4-hydroxy-4-oxo-butanoyl)amino]-3-oxo-3-(pentylamino)propoxy]-2-methyl-3-oxo-2-phenyl-propanoic acid CAS Name: 3-[1-[(4-hydroxy-1,4-dioxobutyl)amino]-3-oxo-3-(pentylamino)propoxy]-2-methyl-3-oxo-2-phenylpropanoic acid IUPAC Name: 3-[1-[(4-hydroxy-4-oxobutanoyl)amino]-3-oxo-3-(pentylamino)propoxy]-2-methyl-3-oxo-2-phenylpropanoic acid Traditional Name: 3-[3-(amylamino)-1-[(4-hydroxy-4-keto-butanoyl)amino]-3-keto-propoxy]-3-keto-2-methyl-2-phenyl-propionic acid Formula: C22H30N2O8 MolecularWeight: 450.4822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CC(NC(=O)CCC(=O)O)OC(=O)C(C)(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCNC(=O)CC(NC(=O)CCC(=O)O)OC(=O)C(C)(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C22H30N2O8/c1-3-4-8-13-23-17(26)14-18(24-16(25)11-12-19(27)28)32-21(31)22(2,20(29)30)15-9-6-5-7-10-15/h5-7,9-10,18H,3-4,8,11-14H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)(H,29,30)