[2-(heptadecylcarbamoyloxy)-3-[20-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]-2,4,6,8,10,12,14,16,18-nonakis[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]carbamoyl]-20-oxidanylidene-icosyl]sulfanyl-propyl] N-heptadecylcarbamate

Systemtic Name: [2-(heptadecylcarbamoyloxy)-3-[20-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]-2,4,6,8,10,12,14,16,18-nonakis[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]carbamoyl]-20-oxidanylidene-icosyl]sulfanyl-propyl] N-heptadecylcarbamate Openeye Name: [2-(heptadecylcarbamoyloxy)-3-[20-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-2,4,6,8,10,12,14,16,18-nonakis[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamoyl]-20-oxo-icosyl]sulfanyl-propyl] N-heptadecylcarbamate CAS Name: N-heptadecylcarbamic acid [3-[[20-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2,4,6,8,10,12,14,16,18-nonakis[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-oxomethyl]-20-oxoeicosyl]thio]-2-[(heptadecylamino)-oxomethoxy]propyl] ester IUPAC Name: [3-[20-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2,4,6,8,10,12,14,16,18-nonakis[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-20-oxoicosyl]sulfanyl-2-(heptadecylcarbamoyloxy)propyl] N-heptadecylcarbamate Traditional Name: N-heptadecylcarbamic acid [2-(heptadecylcarbamoyloxy)-3-[[20-[(2-hydroxy-1,1-dimethylol-ethyl)amino]-2,4,6,8,10,12,14,16,18-nonakis[(2-hydroxy-1,1-dimethylol-ethyl)carbamoyl]-20-keto-eicosyl]thio]propyl] ester Formula: C108H206N12O44S MolecularWeight: 2408.91024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC(CSCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)OC(=O)NCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC(CSCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)OC(=O)NCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C108H206N12O44S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-109-97(161)163-44-86(164-98(162)110-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)46-165-45-85(96(160)120-108(74-148,75-149)76-150)42-83(94(158)118-106(68-142,69-143)70-144)40-81(92(156)116-104(62-136,63-137)64-138)38-79(90(154)114-102(56-130,57-131)58-132)36-77(88(152)112-100(50-124,51-125)52-126)35-78(89(153)113-101(53-127,54-128)55-129)37-80(91(155)115-103(59-133,60-134)61-135)39-82(93(157)117-105(65-139,66-140)67-141)41-84(95(159)119-107(71-145,72-146)73-147)43-87(151)111-99(47-121,48-122)49-123/h77-86,121-150H,3-76H2,1-2H3,(H,109,161)(H,110,162)(H,111,151)(H,112,152)(H,113,153)(H,114,154)(H,115,155)(H,116,156)(H,117,157)(H,118,158)(H,119,159)(H,120,160)