(3S,6S)-7,7-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-3-phenylmethoxycarbonyl-octanoic acid

Systemtic Name: (3S,6S)-7,7-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-3-phenylmethoxycarbonyl-octanoic acid Openeye Name: (3S,6S)-3-benzyloxycarbonyl-6-(tert-butoxycarbonylamino)-7,7-dimethyl-5-oxo-octanoic acid CAS Name: (3S,6S)-7,7-dimethyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-3-phenylmethoxycarbonyloctanoic acid IUPAC Name: (3S,6S)-7,7-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-3-phenylmethoxycarbonyloctanoic acid Traditional Name: (3S,6S)-6-(tert-butoxycarbonylamino)-3-carbobenzoxy-5-keto-7,7-dimethyl-caprylic acid Formula: C23H33NO7 MolecularWeight: 435.51062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)CC(CC(=O)O)C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)C[C@@H](CC(=O)O)C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H33NO7/c1-22(2,3)19(24-21(29)31-23(4,5)6)17(25)12-16(13-18(26)27)20(28)30-14-15-10-8-7-9-11-15/h7-11,16,19H,12-14H2,1-6H3,(H,24,29)(H,26,27)/t16-,19+/m0/s1