(2S)-3-(4-hydroxyphenyl)-2-(3-oxidanylideneicos-11-enoylamino)propanoic acid

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxidanylideneicos-11-enoylamino)propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxoicos-11-enoylamino)propanoic acid CAS Name: (2S)-2-(1,3-dioxoeicos-11-enylamino)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxoicos-11-enoylamino)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(3-ketoeicos-11-enoylamino)propionic acid Formula: C29H45NO5 MolecularWeight: 487.6713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)23-28(33)30-27(29(34)35)22-24-18-20-25(31)21-19-24/h9-10,18-21,27,31H,2-8,11-17,22-23H2,1H3,(H,30,33)(H,34,35)/t27-/m0/s1