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

Systemtic Name: [(3S)-3-(hexadecanoylamino)-4-(1H-indol-3-yl)-2-oxidanylidene-butyl]phosphonic acid Openeye Name: [(3S)-3-(hexadecanoylamino)-4-(1H-indol-3-yl)-2-oxo-butyl]phosphonic acid CAS Name: [(3S)-4-(1H-indol-3-yl)-2-oxo-3-(1-oxohexadecylamino)butyl]phosphonic acid IUPAC Name: [(3S)-3-(hexadecanoylamino)-4-(1H-indol-3-yl)-2-oxobutyl]phosphonic acid Traditional Name: [(3S)-4-(1H-indol-3-yl)-2-keto-3-palmitamido-butyl]phosphonic acid Formula: C28H45N2O5P MolecularWeight: 520.641061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N2O5P/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/h15-18,21,26,29H,2-14,19-20,22H2,1H3,(H,30,32)(H2,33,34,35)/t26-/m0/s1