[1-[[5-azanyl-1-diphenoxyphosphoryloxy-10-oxidanyl-4-oxidanylidene-9-(3-oxidanyltetradecanoylamino)decan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] dodecanoate

Systemtic Name: [1-[[5-azanyl-1-diphenoxyphosphoryloxy-10-oxidanyl-4-oxidanylidene-9-(3-oxidanyltetradecanoylamino)decan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] dodecanoate Openeye Name: 1-[2-[[3-amino-1-(2-diphenoxyphosphoryloxyethyl)-8-hydroxy-7-(3-hydroxytetradecanoylamino)-2-oxo-octyl]amino]-2-oxo-ethyl]dodecyl dodecanoate CAS Name: dodecanoic acid [1-[[5-amino-1-diphenoxyphosphoryloxy-10-hydroxy-9-[(3-hydroxy-1-oxotetradecyl)amino]-4-oxodecan-3-yl]amino]-1-oxotetradecan-3-yl] ester IUPAC Name: [1-[[5-amino-1-diphenoxyphosphoryloxy-10-hydroxy-9-(3-hydroxytetradecanoylamino)-4-oxodecan-3-yl]amino]-1-oxotetradecan-3-yl] dodecanoate Traditional Name: lauric acid 1-[2-[[3-amino-1-(2-diphenoxyphosphoryloxyethyl)-8-hydroxy-7-(3-hydroxytetradecanoylamino)-2-keto-octyl]amino]-2-keto-ethyl]dodecyl ester Formula: C62H106N3O11P MolecularWeight: 1100.492301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)NC(CCCC(C(=O)C(CCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)N)CO)O

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)NC(CCCC(C(=O)C(CCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)N)CO)O

InChI

InChI=1S/C62H106N3O11P/c1-4-7-10-13-16-19-22-25-30-39-53(67)49-59(68)64-52(51-66)38-37-45-57(63)62(71)58(47-48-73-77(72,75-54-40-32-28-33-41-54)76-55-42-34-29-35-43-55)65-60(69)50-56(44-31-26-23-20-17-14-11-8-5-2)74-61(70)46-36-27-24-21-18-15-12-9-6-3/h28-29,32-35,40-43,52-53,56-58,66-67H,4-27,30-31,36-39,44-51,63H2,1-3H3,(H,64,68)(H,65,69)