2-[[2-[(6S)-6-azanyl-7-oxidanyl-heptyl]phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[[2-[(6S)-6-azanyl-7-oxidanyl-heptyl]phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[[2-[(6S)-6-amino-7-hydroxy-heptyl]phenyl]methyl]-3-methoxy-3-oxo-propanoic acid CAS Name: 2-[[2-[(6S)-6-amino-7-hydroxyheptyl]phenyl]methyl]-3-methoxy-3-oxopropanoic acid IUPAC Name: 2-[[2-[(6S)-6-amino-7-hydroxyheptyl]phenyl]methyl]-3-methoxy-3-oxopropanoic acid Traditional Name: 2-[2-[(6S)-6-amino-7-hydroxy-heptyl]benzyl]-3-keto-3-methoxy-propionic acid Formula: C18H27NO5 MolecularWeight: 337.41068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1CCCCCC(CO)N)C(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1CCCCC[C@@H](CO)N)C(=O)O

InChI

InChI=1S/C18H27NO5/c1-24-18(23)16(17(21)22)11-14-9-6-5-8-13(14)7-3-2-4-10-15(19)12-20/h5-6,8-9,15-16,20H,2-4,7,10-12,19H2,1H3,(H,21,22)/t15-,16?/m0/s1