(2S)-2-(heptadec-10-enoylamino)-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-(heptadec-10-enoylamino)-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-(heptadec-10-enoylamino)-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-oxoheptadec-10-enylamino)propanoic acid IUPAC Name: (2S)-2-(heptadec-10-enoylamino)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-(heptadec-10-enoylamino)-3-(4-hydroxyphenyl)propionic acid Formula: C26H41NO4 MolecularWeight: 431.60804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-24(26(30)31)21-22-17-19-23(28)20-18-22/h7-8,17-20,24,28H,2-6,9-16,21H2,1H3,(H,27,29)(H,30,31)/t24-/m0/s1