(phenylmethyl) N-[4-azanyl-5-[[2-[[2-[dodecanoyl(octadecyl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-azanyl-5-[[2-[[2-[dodecanoyl(octadecyl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoyl]carbamate Openeye Name: benzyl N-[4-amino-5-[[2-[[2-[dodecanoyl(octadecyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoyl]carbamate CAS Name: N-[4-amino-5-[[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-[octadecyl(1-oxododecyl)amino]-3-oxanyl]amino]-2-oxoethyl]amino]-1,5-dioxopentyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-amino-5-[[2-[[2-[dodecanoyl(octadecyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]carbamate Traditional Name: N-[4-amino-5-[[2-[[4,5-dihydroxy-2-[lauroyl(stearyl)amino]-6-methylol-tetrahydropyran-3-yl]amino]-2-keto-ethyl]amino]-5-keto-pentanoyl]carbamic acid benzyl ester Formula: C51H89N5O10 MolecularWeight: 932.27986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)CNC(=O)C(CCC(=O)NC(=O)OCC2=CC=CC=C2)N)C(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)CNC(=O)C(CCC(=O)NC(=O)OCC2=CC=CC=C2)N)C(=O)CCCCCCCCCCC

InChI

InChI=1S/C51H89N5O10/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-30-36-56(45(60)33-29-24-22-20-12-10-8-6-4-2)50-46(48(62)47(61)42(38-57)66-50)54-44(59)37-53-49(63)41(52)34-35-43(58)55-51(64)65-39-40-31-27-26-28-32-40/h26-28,31-32,41-42,46-48,50,57,61-62H,3-25,29-30,33-39,52H2,1-2H3,(H,53,63)(H,54,59)(H,55,58,64)