(2S)-2-[[(Z)-hexadec-9-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(Z)-hexadec-9-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(Z)-hexadec-9-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(Z)-1-oxohexadec-9-enyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(Z)-hexadec-9-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(Z)-hexadec-9-enoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C25H39NO4 MolecularWeight: 417.58146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C25H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)26-23(25(29)30)20-21-16-18-22(27)19-17-21/h7-8,16-19,23,27H,2-6,9-15,20H2,1H3,(H,26,28)(H,29,30)/b8-7-/t23-/m0/s1