2-[[3-[(7S)-7-azanyl-8-oxidanyl-octyl]phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[[3-[(7S)-7-azanyl-8-oxidanyl-octyl]phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[[3-[(7S)-7-amino-8-hydroxy-octyl]phenyl]methyl]-3-methoxy-3-oxo-propanoic acid CAS Name: 2-[[3-[(7S)-7-amino-8-hydroxyoctyl]phenyl]methyl]-3-methoxy-3-oxopropanoic acid IUPAC Name: 2-[[3-[(7S)-7-amino-8-hydroxyoctyl]phenyl]methyl]-3-methoxy-3-oxopropanoic acid Traditional Name: 2-[3-[(7S)-7-amino-8-hydroxy-octyl]benzyl]-3-keto-3-methoxy-propionic acid Formula: C19H29NO5 MolecularWeight: 351.43726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)CCCCCCC(CO)N)C(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)CCCCCC[C@@H](CO)N)C(=O)O

InChI

InChI=1S/C19H29NO5/c1-25-19(24)17(18(22)23)12-15-9-6-8-14(11-15)7-4-2-3-5-10-16(20)13-21/h6,8-9,11,16-17,21H,2-5,7,10,12-13,20H2,1H3,(H,22,23)/t16-,17?/m0/s1