2-(octan-3-yloxycarbonylamino)-3-oxidanyl-propanoic acid

Systemtic Name: 2-(octan-3-yloxycarbonylamino)-3-oxidanyl-propanoic acid Openeye Name: 2-(1-ethylhexoxycarbonylamino)-3-hydroxy-propanoic acid CAS Name: 3-hydroxy-2-[[octan-3-yloxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-(octan-3-yloxycarbonylamino)propanoic acid Traditional Name: 2-(1-ethylhexoxycarbonylamino)-3-hydroxy-propionic acid Formula: C12H23NO5 MolecularWeight: 261.31472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)NC(CO)C(=O)O

Isomeric SMILES

CCCCCC(CC)OC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H23NO5/c1-3-5-6-7-9(4-2)18-12(17)13-10(8-14)11(15)16/h9-10,14H,3-8H2,1-2H3,(H,13,17)(H,15,16)