(2S)-4-azanyl-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethoxy]carbonylamino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[2-(3,5-dimethoxyphenyl)propan-2-yloxy-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethoxy]carbonylamino]-4-keto-butyric acid Formula: C16H22N2O7 MolecularWeight: 354.35508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7/c1-16(2,9-5-10(23-3)7-11(6-9)24-4)25-15(22)18-12(14(20)21)8-13(17)19/h5-7,12H,8H2,1-4H3,(H2,17,19)(H,18,22)(H,20,21)/t12-/m0/s1