[3-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]oxy-2-oxidanyl-propyl] tridecanoate

Systemtic Name: [3-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]oxy-2-oxidanyl-propyl] tridecanoate Openeye Name: [3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-2-hydroxy-propyl] tridecanoate CAS Name: tridecanoic acid [3-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-2-hydroxypropyl] tridecanoate Traditional Name: tridecanoic acid [3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-2-hydroxy-propyl] ester Formula: C25H41NO6 MolecularWeight: 451.59614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OCC(COC(=O)C(CC1=CC=C(C=C1)O)N)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)OCC(COC(=O)[C@H](CC1=CC=C(C=C1)O)N)O

InChI

InChI=1S/C25H41NO6/c1-2-3-4-5-6-7-8-9-10-11-12-24(29)31-18-22(28)19-32-25(30)23(26)17-20-13-15-21(27)16-14-20/h13-16,22-23,27-28H,2-12,17-19,26H2,1H3/t22?,23-/m0/s1