[(4S,5R)-4-(hexanoylamino)-5-phenylmethoxycarbonyloxy-dodecyl]phosphonic acid

Systemtic Name: [(4S,5R)-4-(hexanoylamino)-5-phenylmethoxycarbonyloxy-dodecyl]phosphonic acid Openeye Name: [(4S,5R)-5-benzyloxycarbonyloxy-4-(hexanoylamino)dodecyl]phosphonic acid CAS Name: [(4S,5R)-4-(1-oxohexylamino)-5-phenylmethoxycarbonyloxydodecyl]phosphonic acid IUPAC Name: [(4S,5R)-4-(hexanoylamino)-5-phenylmethoxycarbonyloxydodecyl]phosphonic acid Traditional Name: [(4S,5R)-4-(caproylamino)-5-carbobenzoxyoxy-dodecyl]phosphonic acid Formula: C26H44NO7P MolecularWeight: 513.603821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CCCP(=O)(O)O)NC(=O)CCCCC)OC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC[C@H]([C@H](CCCP(=O)(O)O)NC(=O)CCCCC)OC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C26H44NO7P/c1-3-5-7-8-13-18-24(34-26(29)33-21-22-15-11-9-12-16-22)23(17-14-20-35(30,31)32)27-25(28)19-10-6-4-2/h9,11-12,15-16,23-24H,3-8,10,13-14,17-21H2,1-2H3,(H,27,28)(H2,30,31,32)/t23-,24+/m0/s1