3-methyl-2-[[6-methyl-3-oxidanyl-4-[(2-oxidanyl-3-phenyl-propanoyl)amino]heptanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[6-methyl-3-oxidanyl-4-[(2-oxidanyl-3-phenyl-propanoyl)amino]heptanoyl]amino]butanoic acid Openeye Name: 2-[[3-hydroxy-4-[(2-hydroxy-3-phenyl-propanoyl)amino]-6-methyl-heptanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-hydroxy-4-[(2-hydroxy-1-oxo-3-phenylpropyl)amino]-6-methyl-1-oxoheptyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-hydroxy-4-[(2-hydroxy-3-phenylpropanoyl)amino]-6-methylheptanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-hydroxy-4-[(2-hydroxy-3-phenyl-propanoyl)amino]-6-methyl-heptanoyl]amino]-3-methyl-butyric acid Formula: C22H34N2O6 MolecularWeight: 422.51516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(CC1=CC=CC=C1)O

Isomeric SMILES

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(CC1=CC=CC=C1)O

InChI

InChI=1S/C22H34N2O6/c1-13(2)10-16(17(25)12-19(27)24-20(14(3)4)22(29)30)23-21(28)18(26)11-15-8-6-5-7-9-15/h5-9,13-14,16-18,20,25-26H,10-12H2,1-4H3,(H,23,28)(H,24,27)(H,29,30)