[(2S)-2-[[(Z)-heptadec-8-enoyl]amino]-3-(4-prop-2-enoxyphenyl)propyl]phosphonic acid

Systemtic Name: [(2S)-2-[[(Z)-heptadec-8-enoyl]amino]-3-(4-prop-2-enoxyphenyl)propyl]phosphonic acid Openeye Name: [(2S)-3-(4-allyloxyphenyl)-2-[[(Z)-heptadec-8-enoyl]amino]propyl]phosphonic acid CAS Name: [(2S)-2-[[(Z)-1-oxoheptadec-8-enyl]amino]-3-(4-prop-2-enoxyphenyl)propyl]phosphonic acid IUPAC Name: [(2S)-2-[[(Z)-heptadec-8-enoyl]amino]-3-(4-prop-2-enoxyphenyl)propyl]phosphonic acid Traditional Name: [(2S)-3-(4-allyloxyphenyl)-2-[[(Z)-heptadec-8-enoyl]amino]propyl]phosphonic acid Formula: C29H48NO5P MolecularWeight: 521.668881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(=O)NC(CC1=CC=C(C=C1)OCC=C)CP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H48NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(31)30-27(25-36(32,33)34)24-26-19-21-28(22-20-26)35-23-4-2/h4,11-12,19-22,27H,2-3,5-10,13-18,23-25H2,1H3,(H,30,31)(H2,32,33,34)/b12-11-/t27-/m0/s1