3-[3-(3-azanylpropylamino)propanoyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-[3-(3-azanylpropylamino)propanoyl-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[3-(3-aminopropylamino)propanoyl-benzyl-amino]propanoic acid CAS Name: 3-[[3-(3-aminopropylamino)-1-oxopropyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[3-(3-aminopropylamino)propanoyl-benzylamino]propanoic acid Traditional Name: 3-[3-(3-aminopropylamino)propanoyl-benzyl-amino]propionic acid Formula: C16H25N3O3 MolecularWeight: 307.388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)O)C(=O)CCNCCCN

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)O)C(=O)CCNCCCN

InChI

InChI=1S/C16H25N3O3/c17-9-4-10-18-11-7-15(20)19(12-8-16(21)22)13-14-5-2-1-3-6-14/h1-3,5-6,18H,4,7-13,17H2,(H,21,22)