3-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoylamino]butanoic acid Openeye Name: 2-[2-[[2-(benzyloxycarbonylamino)acetyl]amino]propanoylamino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoylamino]butanoic acid Traditional Name: 2-[2-[[2-(benzyloxycarbonylamino)acetyl]amino]propanoylamino]-3-methyl-butyric acid Formula: C18H25N3O6 MolecularWeight: 379.4076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H25N3O6/c1-11(2)15(17(24)25)21-16(23)12(3)20-14(22)9-19-18(26)27-10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,19,26)(H,20,22)(H,21,23)(H,24,25)