6-azanyl-2-[(2-benzamido-3-phenyl-propanoyl)amino]hexanoic acid; fluoranylmethane

Systemtic Name: 6-azanyl-2-[(2-benzamido-3-phenyl-propanoyl)amino]hexanoic acid; fluoranylmethane Openeye Name: 6-amino-2-[(2-benzamido-3-phenyl-propanoyl)amino]hexanoic acid; fluoromethane CAS Name: 6-amino-2-[(2-benzamido-1-oxo-3-phenylpropyl)amino]hexanoic acid; fluoromethane IUPAC Name: 6-amino-2-[(2-benzamido-3-phenylpropanoyl)amino]hexanoic acid; fluoromethane Traditional Name: 6-amino-2-[(2-benzamido-3-phenyl-propanoyl)amino]hexanoic acid; fluoromethane Formula: C23H30FN3O4 MolecularWeight: 431.500403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4.CH3F/c23-14-8-7-13-18(22(28)29)24-21(27)19(15-16-9-3-1-4-10-16)25-20(26)17-11-5-2-6-12-17;1-2/h1-6,9-12,18-19H,7-8,13-15,23H2,(H,24,27)(H,25,26)(H,28,29);1H3