3-[[5-(5-azanylpentanoylamino)-2-phenylmethoxy-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[5-(5-azanylpentanoylamino)-2-phenylmethoxy-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[5-(5-aminopentanoylamino)-2-benzyloxy-benzoyl]amino]propanoic acid CAS Name: 3-[[[5-[(5-amino-1-oxopentyl)amino]-2-phenylmethoxyphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-(5-aminopentanoylamino)-2-phenylmethoxybenzoyl]amino]propanoic acid Traditional Name: 3-[[5-(5-aminopentanoylamino)-2-benzoxy-benzoyl]amino]propionic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC(=O)CCCCN)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC(=O)CCCCN)C(=O)NCCC(=O)O

InChI

InChI=1S/C22H27N3O5/c23-12-5-4-8-20(26)25-17-9-10-19(30-15-16-6-2-1-3-7-16)18(14-17)22(29)24-13-11-21(27)28/h1-3,6-7,9-10,14H,4-5,8,11-13,15,23H2,(H,24,29)(H,25,26)(H,27,28)