(2S)-2-[[(2S)-1-ethoxy-4-(4-ethoxycarbonylphenyl)-1-oxidanylidene-butan-2-yl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-ethoxy-4-(4-ethoxycarbonylphenyl)-1-oxidanylidene-butan-2-yl]amino]propanoic acid Openeye Name: (2S)-2-[[(1S)-1-ethoxycarbonyl-3-(4-ethoxycarbonylphenyl)propyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-1-ethoxy-4-(4-ethoxycarbonylphenyl)-1-oxobutan-2-yl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-ethoxy-4-(4-ethoxycarbonylphenyl)-1-oxobutan-2-yl]amino]propanoic acid Traditional Name: (2S)-2-[[(1S)-1-carbethoxy-3-(4-carbethoxyphenyl)propyl]amino]propionic acid Formula: C18H25NO6 MolecularWeight: 351.3942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC(C(=O)OCC)NC(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO6/c1-4-24-17(22)14-9-6-13(7-10-14)8-11-15(18(23)25-5-2)19-12(3)16(20)21/h6-7,9-10,12,15,19H,4-5,8,11H2,1-3H3,(H,20,21)/t12-,15-/m0/s1