(2R,7S)-8-methoxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-2-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: (2R,7S)-8-methoxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-2-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: (2R,7S)-2-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)-8-methoxy-8-oxo-octanoic acid CAS Name: (2R,7S)-8-methoxy-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-2-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: (2R,7S)-8-methoxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-2-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: (2R,7S)-2-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)-8-keto-8-methoxy-caprylic acid Formula: C22H32N2O8 MolecularWeight: 452.49808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O8/c1-22(2,3)32-21(29)24-17(19(27)30-4)13-9-8-12-16(18(25)26)23-20(28)31-14-15-10-6-5-7-11-15/h5-7,10-11,16-17H,8-9,12-14H2,1-4H3,(H,23,28)(H,24,29)(H,25,26)/t16-,17+/m1/s1