tert-butyl N-[2-[[1-[[6-(hydroxymethyl)-2-[[(E)-octadec-9-enoyl]-octadecyl-amino]-4,5-bis(oxidanyl)oxan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[1-[[6-(hydroxymethyl)-2-[[(E)-octadec-9-enoyl]-octadecyl-amino]-4,5-bis(oxidanyl)oxan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-[[(E)-octadec-9-enoyl]-octadecyl-amino]tetrahydropyran-3-yl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[1-[[4,5-dihydroxy-6-(hydroxymethyl)-2-[octadecyl-[(E)-1-oxooctadec-9-enyl]amino]-3-oxanyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[1-[[4,5-dihydroxy-6-(hydroxymethyl)-2-[[(E)-octadec-9-enoyl]-octadecylamino]oxan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate Traditional Name: N-[2-[[2-[[4,5-dihydroxy-6-methylol-2-[[(E)-octadec-9-enoyl]-stearyl-amino]tetrahydropyran-3-yl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C52H98N4O9 MolecularWeight: 923.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)C(C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)C(C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C52H98N4O9/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-56(45(59)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)50-46(48(61)47(60)43(41-57)64-50)55-49(62)42(3)54-44(58)40-53-51(63)65-52(4,5)6/h22,24,42-43,46-48,50,57,60-61H,7-21,23,25-41H2,1-6H3,(H,53,63)(H,54,58)(H,55,62)/b24-22+