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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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