[(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate

C102H174N6O27 — CID 158624990

IUPAC[(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate
SMILESCOC[C@@H]1C[C@@H](OC(=O)CCC(C)=O)CN1C(=O)CCCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)CCCCC[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)CC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)CC(=O)C(CCCCNC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)NC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C102H174N6O27/c1-64(109)46-47-97(120)131-85-57-83(59-123-18)108(58-85)96(119)45-23-20-30-50-105-99(122)82(56-87(115)86(107-95(118)44-29-36-54-126-102-76(13)68(5)73(10)92(135-102)63-130-80(17)113)40-26-33-49-104-94(117)43-28-35-53-125-101-75(12)67(4)72(9)91(134-101)62-129-79(16)112)38-25-32-51-106-98(121)81(55-84(114)39-27-34-52-124-100-74(11)66(3)71(8)90(133-100)61-128-78(15)111)37-24-31-48-103-93(116)42-22-19-21-41-88-69(6)65(2)70(7)89(132-88)60-127-77(14)110/h65-76,81-83,85-86,88-92,100-102H,19-63H2,1-18H3,(H,103,116)(H,104,117)(H,105,122)(H,106,121)(H,107,118)/t65-,66+,67+,68+,69?,70-,71-,72-,73-,74?,75?,76?,81?,82?,83+,85-,86?,88+,89?,90?,91?,92?,100-,101-,102-/m1/s1
InChIKeyKUDCWTKZJVADJM-DAASQHEBSA-N
MW1916.53 g/mol
LogP13.03
Rot. Bonds67

About [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate

[(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate (PubChem CID 158624990) has the molecular formula C102H174N6O27 and a molecular weight of 1916.53 g/mol. Its IUPAC name is [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate
PubChem CID158624990
Molecular FormulaC102H174N6O27
Molecular Weight1916.53 g/mol
Exact Mass1915.24
IUPAC Name[(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate
SMILESCOC[C@@H]1C[C@@H](OC(=O)CCC(C)=O)CN1C(=O)CCCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)CCCCC[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)CC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)CC(=O)C(CCCCNC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)NC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C102H174N6O27/c1-64(109)46-47-97(120)131-85-57-83(59-123-18)108(58-85)96(119)45-23-20-30-50-105-99(122)82(56-87(115)86(107-95(118)44-29-36-54-126-102-76(13)68(5)73(10)92(135-102)63-130-80(17)113)40-26-33-49-104-94(117)43-28-35-53-125-101-75(12)67(4)72(9)91(134-101)62-129-79(16)112)38-25-32-51-106-98(121)81(55-84(114)39-27-34-52-124-100-74(11)66(3)71(8)90(133-100)61-128-78(15)111)37-24-31-48-103-93(116)42-22-19-21-41-88-69(6)65(2)70(7)89(132-88)60-127-77(14)110/h65-76,81-83,85-86,88-92,100-102H,19-63H2,1-18H3,(H,103,116)(H,104,117)(H,105,122)(H,106,121)(H,107,118)/t65-,66+,67+,68+,69?,70-,71-,72-,73-,74?,75?,76?,81?,82?,83+,85-,86?,88+,89?,90?,91?,92?,100-,101-,102-/m1/s1
InChIKeyKUDCWTKZJVADJM-DAASQHEBSA-N
XLogP13.03
TPSA422.36 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds67
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001916.53
LogP ≤ 513.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate with MolForge

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Related Compounds

2-[4-[[8-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[4-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N-[4-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-oxononanamide;[(3R,5S)-1-[4-[[2-[4-[[8-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[4-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]butanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate;ethane
CID 159244980
[(3R,4R,6R)-6-[11-[5-[(2R,4R,5R)-6-(acetyloxymethyl)-4,5-dihydroxy-3-methyloxan-2-yl]oxypentanoylamino]-7-[[8,12-bis[5-[(2R,4R,5R)-6-(acetyloxymethyl)-4,5-dihydroxy-3-methyloxan-2-yl]oxypentanoylamino]-5-[[4-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutyl]carbamoyl]-7-oxododecyl]carbamoyl]-5-oxoundecoxy]-3,4-dihydroxy-5-methyloxan-2-yl]methyl acetate
CID 158631865
[(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane
CID 159955665
[(3R,5R)-1-[6-[2,6-bis[2,6-bis[5-[(2R,4R,5R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]hexanoylamino]hexanoylamino]hexanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate
CID 162499171
2-[4-[[8-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-2-[4-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N-[4-[(2S,4R)-4-methyl-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-oxononanamide
CID 149172133
4-[[6-[5-[(2R,3S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-2-[2,6-bis[5-[(2R,3S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]hexanoylamino]hexanoyl]amino]butanoic acid
CID 158000714
(2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium
CID 164974505
[6-[6-[[1,12-bis[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexanoylamino]-8-[[6-(3-methoxypropylamino)-6-oxohexyl]carbamoyl]-6-oxododecan-5-yl]amino]-6-oxohexoxy]-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl] acetate
CID 159717673
6-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxyhexanoic acid;benzyl 6-[[5,9-bis[6-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxyhexanoylamino]-2-[4-[6-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxyhexanoylamino]butyl]-4-oxononanoyl]amino]hexanoate;benzyl 6-[[5,9-diamino-2-(4-aminobutyl)-4-oxononanoyl]amino]hexanoate;6-[[5,9-bis[6-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxyhexanoylamino]-2-[4-[6-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxyhexanoylamino]butyl]-4-oxononanoyl]amino]hexanoic acid;deuterio(fluoro)methane
CID 159002264
[(3R,5S)-1-[12-[[1,3-bis[3-[3-[5-[3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-12-oxododecanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate
CID 118232184
benzyl (9S)-9,13-bis[6-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxyhexanoylamino]-8-oxotridecanoate
CID 157057145
(2,3,4,5,6-pentafluorophenyl) 5-[[1-[3-[7-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]heptylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]-3-[10-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3-oxodecoxy]propan-2-yl]amino]-5-oxopentanoate
CID 159579838

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate?
The IUPAC name of [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate (CID 158624990) is [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate.
What is the SMILES notation for [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate?
The canonical SMILES for [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate is COC[C@@H]1C[C@@H](OC(=O)CCC(C)=O)CN1C(=O)CCCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)CCCCC[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)CC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)CC(=O)C(CCCCNC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)NC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C.
What is the InChIKey of [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate?
The InChIKey is KUDCWTKZJVADJM-DAASQHEBSA-N. The full InChI is InChI=1S/C102H174N6O27/c1-64(109)46-47-97(120)131-85-57-83(59-123-18)108(58-85)96(119)45-23-20-30-50-105-99(122)82(56-87(115)86(107-95(118)44-29-36-54-126-102-76(13)68(5)73(10)92(135-102)63-130-80(17)113)40-26-33-49-104-94(117)43-28-35-53-125-101-75(12)67(4)72(9)91(134-101)62-129-79(16)112)38-25-32-51-106-98(121)81(55-84(114)39-27-34-52-124-100-74(11)66(3)71(8)90(133-100)61-128-78(15)111)37-24-31-48-103-93(116)42-22-19-21-41-88-69(6)65(2)70(7)89(132-88)60-127-77(14)110/h65-76,81-83,85-86,88-92,100-102H,19-63H2,1-18H3,(H,103,116)(H,104,117)(H,105,122)(H,106,121)(H,107,118)/t65-,66+,67+,68+,69?,70-,71-,72-,73-,74?,75?,76?,81?,82?,83+,85-,86?,88+,89?,90?,91?,92?,100-,101-,102-/m1/s1.
What are the key properties of [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate?
[(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate has a molecular weight of 1916.53 g/mol, XLogP of 13.03, 67 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-[6-[[2-[4-[[2-[4-[6-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]hexanoylamino]butyl]-8-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-4-oxooctanoyl]amino]butyl]-5,9-bis[5-[(2S,4R,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]-4-oxononanoyl]amino]hexanoyl]-5-(methoxymethyl)pyrrolidin-3-yl] 4-oxopentanoate is sourced from PubChem (CID 158624990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).