3-[2-(2-azanyl-4-methyl-pentanoyl)phenyl]-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoic acid

Systemtic Name: 3-[2-(2-azanyl-4-methyl-pentanoyl)phenyl]-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoic acid Openeye Name: 3-[2-(2-amino-4-methyl-pentanoyl)phenyl]-2-[[2-(benzyloxycarbonylamino)acetyl]amino]propanoic acid CAS Name: 3-[2-(2-amino-4-methyl-1-oxopentyl)phenyl]-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanoic acid IUPAC Name: 3-[2-(2-amino-4-methylpentanoyl)phenyl]-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid Traditional Name: 3-[2-(2-amino-4-methyl-pentanoyl)phenyl]-2-[[2-(benzyloxycarbonylamino)acetyl]amino]propionic acid Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=CC=CC=C1CC(C(=O)O)NC(=O)CNC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)C1=CC=CC=C1CC(C(=O)O)NC(=O)CNC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C25H31N3O6/c1-16(2)12-20(26)23(30)19-11-7-6-10-18(19)13-21(24(31)32)28-22(29)14-27-25(33)34-15-17-8-4-3-5-9-17/h3-11,16,20-21H,12-15,26H2,1-2H3,(H,27,33)(H,28,29)(H,31,32)