(2S,3R)-2-oxidanyl-3-[(phenylmethyl)amino]decanoic acid

Systemtic Name: (2S,3R)-2-oxidanyl-3-[(phenylmethyl)amino]decanoic acid Openeye Name: (2S,3R)-3-(benzylamino)-2-hydroxy-decanoic acid CAS Name: (2S,3R)-2-hydroxy-3-[(phenylmethyl)amino]decanoic acid IUPAC Name: (2S,3R)-3-(benzylamino)-2-hydroxydecanoic acid Traditional Name: (2S,3R)-3-(benzylamino)-2-hydroxy-capric acid Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C(=O)O)O)NCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC[C@H]([C@@H](C(=O)O)O)NCC1=CC=CC=C1

InChI

InChI=1S/C17H27NO3/c1-2-3-4-5-9-12-15(16(19)17(20)21)18-13-14-10-7-6-8-11-14/h6-8,10-11,15-16,18-19H,2-5,9,12-13H2,1H3,(H,20,21)/t15-,16+/m1/s1