3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]propanoic acid

Systemtic Name: 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]propanoic acid Openeye Name: 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]propanoic acid CAS Name: 3-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]propanoic acid Traditional Name: 3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]propionic acid Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC(=O)O

InChI

InChI=1S/C18H26N2O5S/c21-17(19-12-11-18(22)23)10-7-15-5-8-16(9-6-15)26(24,25)20-13-3-1-2-4-14-20/h5-6,8-9H,1-4,7,10-14H2,(H,19,21)(H,22,23)