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methyl (2S)-2-(docosanoylamino)-3-(4-hydroxyphenyl)propanoate

methyl (2S)-2-(docosanoylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name:methyl (2S)-2-(docosanoylamino)-3-(4-hydroxyphenyl)propanoate
Openeye Name:methyl (2S)-2-(docosanoylamino)-3-(4-hydroxyphenyl)propanoate
CAS Name:(2S)-3-(4-hydroxyphenyl)-2-(1-oxodocosylamino)propanoic acid methyl ester
IUPAC Name:methyl (2S)-2-(docosanoylamino)-3-(4-hydroxyphenyl)propanoate
Traditional Name:(2S)-2-(docosanoylamino)-3-(4-hydroxyphenyl)propionic acid methyl ester
Formula: C32H55NO4
MolecularWeight: 517.7834
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC


InChI

InChI=1S/C32H55NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(35)33-30(32(36)37-2)27-28-23-25-29(34)26-24-28/h23-26,30,34H,3-22,27H2,1-2H3,(H,33,35)/t30-/m0/s1


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