[(3S)-3-(hexadecanoylamino)-4-(1H-indol-3-yl)-2-oxidanyl-butyl]phosphonic acid

Systemtic Name: [(3S)-3-(hexadecanoylamino)-4-(1H-indol-3-yl)-2-oxidanyl-butyl]phosphonic acid Openeye Name: [(3S)-3-(hexadecanoylamino)-2-hydroxy-4-(1H-indol-3-yl)butyl]phosphonic acid CAS Name: [(3S)-2-hydroxy-4-(1H-indol-3-yl)-3-(1-oxohexadecylamino)butyl]phosphonic acid IUPAC Name: [(3S)-3-(hexadecanoylamino)-2-hydroxy-4-(1H-indol-3-yl)butyl]phosphonic acid Traditional Name: [(3S)-2-hydroxy-4-(1H-indol-3-yl)-3-palmitamido-butyl]phosphonic acid Formula: C28H47N2O5P MolecularWeight: 522.656941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(CP(=O)(O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(CP(=O)(O)O)O

InChI

InChI=1S/C28H47N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-28(32)30-26(27(31)22-36(33,34)35)20-23-21-29-25-18-16-15-17-24(23)25/h15-18,21,26-27,29,31H,2-14,19-20,22H2,1H3,(H,30,32)(H2,33,34,35)/t26-,27?/m0/s1