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

Systemtic Name: 3-[[3-(5-azanylpentanoylamino)phenyl]carbonylamino]-2-phenyl-propanoic acid; methanoic acid Openeye Name: 3-[[3-(5-aminopentanoylamino)benzoyl]amino]-2-phenyl-propanoic acid; formic acid CAS Name: 3-[[[3-[(5-amino-1-oxopentyl)amino]phenyl]-oxomethyl]amino]-2-phenylpropanoic acid; formic acid IUPAC Name: 3-[[3-(5-aminopentanoylamino)benzoyl]amino]-2-phenylpropanoic acid; formic acid Traditional Name: 3-[[3-(5-aminopentanoylamino)benzoyl]amino]-2-phenyl-propionic acid; formic acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)NC(=O)CCCCN)C(=O)O.C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)NC(=O)CCCCN)C(=O)O.C(=O)O

InChI

InChI=1S/C21H25N3O4.CH2O2/c22-12-5-4-11-19(25)24-17-10-6-9-16(13-17)20(26)23-14-18(21(27)28)15-7-2-1-3-8-15;2-1-3/h1-3,6-10,13,18H,4-5,11-12,14,22H2,(H,23,26)(H,24,25)(H,27,28);1H,(H,2,3)