(2S,3S)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3-phenylmethoxy-butanoic acid

Systemtic Name: (2S,3S)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3-phenylmethoxy-butanoic acid Openeye Name: (2S,3S)-3-benzyloxy-2-(tert-butoxycarbonylamino)-4-(cyclohexoxy)-4-oxo-butanoic acid CAS Name: (2S,3S)-4-cyclohexyloxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3-phenylmethoxybutanoic acid IUPAC Name: (2S,3S)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxybutanoic acid Traditional Name: (2S,3S)-3-benzoxy-2-(tert-butoxycarbonylamino)-4-(cyclohexoxy)-4-keto-butyric acid Formula: C22H31NO7 MolecularWeight: 421.48404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C(=O)OC1CCCCC1)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]([C@@H](C(=O)OC1CCCCC1)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H31NO7/c1-22(2,3)30-21(27)23-17(19(24)25)18(28-14-15-10-6-4-7-11-15)20(26)29-16-12-8-5-9-13-16/h4,6-7,10-11,16-18H,5,8-9,12-14H2,1-3H3,(H,23,27)(H,24,25)/t17-,18-/m0/s1