(2S)-3-(4-hydroxyphenyl)-2-(octadec-9-enoylamino)propanoic acid

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(octadec-9-enoylamino)propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(octadec-9-enoylamino)propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-oxooctadec-9-enylamino)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(octadec-9-enoylamino)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(octadec-9-enoylamino)propionic acid Formula: C27H43NO4 MolecularWeight: 445.63462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h9-10,18-21,25,29H,2-8,11-17,22H2,1H3,(H,28,30)(H,31,32)/t25-/m0/s1