3-[(2-azanyl-4-methyl-pentanoyl)-(7-methyloctanoyl)amino]-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]-4-oxidanylidene-butaneperoxoic acid

Systemtic Name: 3-[(2-azanyl-4-methyl-pentanoyl)-(7-methyloctanoyl)amino]-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]-4-oxidanylidene-butaneperoxoic acid Openeye Name: 3-[(2-amino-4-methyl-pentanoyl)-(7-methyloctanoyl)amino]-4-[[3-(tert-butoxycarbonylamino)phenyl]methoxy]-4-oxo-butaneperoxoic acid CAS Name: 3-[(2-amino-4-methyl-1-oxopentyl)-(7-methyl-1-oxooctyl)amino]-4-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methoxy]-4-oxobutaneperoxoic acid IUPAC Name: 3-[(2-amino-4-methylpentanoyl)-(7-methyloctanoyl)amino]-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]-4-oxobutaneperoxoic acid Traditional Name: 3-[(2-amino-4-methyl-pentanoyl)-(7-methyloctanoyl)amino]-4-[3-(tert-butoxycarbonylamino)benzyl]oxy-4-keto-peroxybutyric acid Formula: C31H49N3O9 MolecularWeight: 607.73546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)N(C(CC(=O)OO)C(=O)OCC1=CC(=CC=C1)NC(=O)OC(C)(C)C)C(=O)C(CC(C)C)N

Isomeric SMILES

CC(C)CCCCCC(=O)N(C(CC(=O)OO)C(=O)OCC1=CC(=CC=C1)NC(=O)OC(C)(C)C)C(=O)C(CC(C)C)N

InChI

InChI=1S/C31H49N3O9/c1-20(2)12-9-8-10-15-26(35)34(28(37)24(32)16-21(3)4)25(18-27(36)43-40)29(38)41-19-22-13-11-14-23(17-22)33-30(39)42-31(5,6)7/h11,13-14,17,20-21,24-25,40H,8-10,12,15-16,18-19,32H2,1-7H3,(H,33,39)