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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

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