4-methyl-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]pentanoic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)hexanoylamino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]pentanoic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)hexanoylamino]-4-methyl-valeric acid Formula: C20H30N2O5 MolecularWeight: 378.4626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-4-5-11-16(18(23)21-17(19(24)25)12-14(2)3)22-20(26)27-13-15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3,(H,21,23)(H,22,26)(H,24,25)