2-[[2-[(5S)-5-azanyl-6-oxidanyl-hexyl]phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[[2-[(5S)-5-azanyl-6-oxidanyl-hexyl]phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[[2-[(5S)-5-amino-6-hydroxy-hexyl]phenyl]methyl]-3-methoxy-3-oxo-propanoic acid CAS Name: 2-[[2-[(5S)-5-amino-6-hydroxyhexyl]phenyl]methyl]-3-methoxy-3-oxopropanoic acid IUPAC Name: 2-[[2-[(5S)-5-amino-6-hydroxyhexyl]phenyl]methyl]-3-methoxy-3-oxopropanoic acid Traditional Name: 2-[2-[(5S)-5-amino-6-hydroxy-hexyl]benzyl]-3-keto-3-methoxy-propionic acid Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1CCCCC(CO)N)C(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1CCCC[C@@H](CO)N)C(=O)O

InChI

InChI=1S/C17H25NO5/c1-23-17(22)15(16(20)21)10-13-8-3-2-6-12(13)7-4-5-9-14(18)11-19/h2-3,6,8,14-15,19H,4-5,7,9-11,18H2,1H3,(H,20,21)/t14-,15?/m0/s1