2-[3-[[[(5S)-5-acetamido-6-azanyl-6-oxidanylidene-hexyl]amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[[(5S)-5-acetamido-6-azanyl-6-oxidanylidene-hexyl]amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[[(5S)-5-acetamido-6-amino-6-oxo-hexyl]amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[[(5S)-5-acetamido-6-amino-6-oxohexyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[[(5S)-5-acetamido-6-amino-6-oxohexyl]amino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[[(5S)-5-acetamido-6-amino-6-keto-hexyl]amino]methyl]phenoxy]acetic acid Formula: C17H25N3O5 MolecularWeight: 351.3975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNCC1=CC(=CC=C1)OCC(=O)O)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CCCCNCC1=CC(=CC=C1)OCC(=O)O)C(=O)N

InChI

InChI=1S/C17H25N3O5/c1-12(21)20-15(17(18)24)7-2-3-8-19-10-13-5-4-6-14(9-13)25-11-16(22)23/h4-6,9,15,19H,2-3,7-8,10-11H2,1H3,(H2,18,24)(H,20,21)(H,22,23)/t15-/m0/s1