(2S)-5-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-5-(3,4-dimethoxyphenyl)-5-oxo-pentanoic acid CAS Name: (2S)-5-(3,4-dimethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(3,4-dimethoxyphenyl)-5-keto-valeric acid Formula: C18H25NO7 MolecularWeight: 367.3936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)C1=CC(=C(C=C1)OC)OC)C(=O)O

InChI

InChI=1S/C18H25NO7/c1-18(2,3)26-17(23)19-12(16(21)22)7-8-13(20)11-6-9-14(24-4)15(10-11)25-5/h6,9-10,12H,7-8H2,1-5H3,(H,19,23)(H,21,22)/t12-/m0/s1