N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide

C150H274N14O87 — CID 163638530

IUPACN-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide
SMILESCC(C)N(CC(=O)CCCOCCC(=O)NC(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)CC(=O)NCCOCCC(=O)NC(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O.CC(C)NC(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C104H188N10O60.C46H86N4O27/c1-62(2)114(48-63(121)4-3-20-149-21-11-76(128)112-103(56-157-23-5-70(122)105-13-30-151-36-42-163-97-91(143)85(137)79(131)64(50-115)169-97,57-158-24-6-71(123)106-14-31-152-37-43-164-98-92(144)86(138)80(132)65(51-116)170-98)58-159-25-7-72(124)107-15-32-153-38-44-165-99-93(145)87(139)81(133)66(52-117)171-99)49-78(130)111-19-29-150-22-12-77(129)113-104(59-160-26-8-73(125)108-16-33-154-39-45-166-100-94(146)88(140)82(134)67(53-118)172-100,60-161-27-9-74(126)109-17-34-155-40-46-167-101-95(147)89(141)83(135)68(54-119)173-101)61-162-28-10-75(127)110-18-35-156-41-47-168-102-96(148)90(142)84(136)69(55-120)174-102;1-27(2)50-46(24-69-9-3-31(54)47-6-12-66-15-18-72-43-40(63)37(60)34(57)28(21-51)75-43,25-70-10-4-32(55)48-7-13-67-16-19-73-44-41(64)38(61)35(58)29(22-52)76-44)26-71-11-5-33(56)49-8-14-68-17-20-74-45-42(65)39(62)36(59)30(23-53)77-45/h62,64-69,79-102,115-120,131-148H,3-61H2,1-2H3,(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,130)(H,112,128)(H,113,129);27-30,34-45,50-53,57-65H,3-26H2,1-2H3,(H,47,54)(H,48,55)(H,49,56)
InChIKeyICGNIIMBEAEHIX-UHFFFAOYSA-N
MW3665.85 g/mol
LogP-29.39
Rot. Bonds139

About N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide

N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide (PubChem CID 163638530) has the molecular formula C150H274N14O87 and a molecular weight of 3665.85 g/mol. Its IUPAC name is N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide
PubChem CID163638530
Molecular FormulaC150H274N14O87
Molecular Weight3665.85 g/mol
Exact Mass3663.74
IUPAC NameN-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide
SMILESCC(C)N(CC(=O)CCCOCCC(=O)NC(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)CC(=O)NCCOCCC(=O)NC(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O.CC(C)NC(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C104H188N10O60.C46H86N4O27/c1-62(2)114(48-63(121)4-3-20-149-21-11-76(128)112-103(56-157-23-5-70(122)105-13-30-151-36-42-163-97-91(143)85(137)79(131)64(50-115)169-97,57-158-24-6-71(123)106-14-31-152-37-43-164-98-92(144)86(138)80(132)65(51-116)170-98)58-159-25-7-72(124)107-15-32-153-38-44-165-99-93(145)87(139)81(133)66(52-117)171-99)49-78(130)111-19-29-150-22-12-77(129)113-104(59-160-26-8-73(125)108-16-33-154-39-45-166-100-94(146)88(140)82(134)67(53-118)172-100,60-161-27-9-74(126)109-17-34-155-40-46-167-101-95(147)89(141)83(135)68(54-119)173-101)61-162-28-10-75(127)110-18-35-156-41-47-168-102-96(148)90(142)84(136)69(55-120)174-102;1-27(2)50-46(24-69-9-3-31(54)47-6-12-66-15-18-72-43-40(63)37(60)34(57)28(21-51)75-43,25-70-10-4-32(55)48-7-13-67-16-19-73-44-41(64)38(61)35(58)29(22-52)76-44)26-71-11-5-33(56)49-8-14-68-17-20-74-45-42(65)39(62)36(59)30(23-53)77-45/h62,64-69,79-102,115-120,131-148H,3-61H2,1-2H3,(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,130)(H,112,128)(H,113,129);27-30,34-45,50-53,57-65H,3-26H2,1-2H3,(H,47,54)(H,48,55)(H,49,56)
InChIKeyICGNIIMBEAEHIX-UHFFFAOYSA-N
XLogP-29.39
TPSA1460.56 Ų
H-Bond Donors49
H-Bond Acceptors89
Rotatable Bonds139
Heavy Atoms251
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003665.85
LogP ≤ 5-29.39
H-Bond Donors ≤ 549
H-Bond Acceptors ≤ 1089

Computed Properties (RDKit)

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

Analyze N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide?
The IUPAC name of N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide (CID 163638530) is N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide.
What is the SMILES notation for N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide?
The canonical SMILES for N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide is CC(C)N(CC(=O)CCCOCCC(=O)NC(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)CC(=O)NCCOCCC(=O)NC(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O.CC(C)NC(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide?
The InChIKey is ICGNIIMBEAEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H188N10O60.C46H86N4O27/c1-62(2)114(48-63(121)4-3-20-149-21-11-76(128)112-103(56-157-23-5-70(122)105-13-30-151-36-42-163-97-91(143)85(137)79(131)64(50-115)169-97,57-158-24-6-71(123)106-14-31-152-37-43-164-98-92(144)86(138)80(132)65(51-116)170-98)58-159-25-7-72(124)107-15-32-153-38-44-165-99-93(145)87(139)81(133)66(52-117)171-99)49-78(130)111-19-29-150-22-12-77(129)113-104(59-160-26-8-73(125)108-16-33-154-39-45-166-100-94(146)88(140)82(134)67(53-118)172-100,60-161-27-9-74(126)109-17-34-155-40-46-167-101-95(147)89(141)83(135)68(54-119)173-101)61-162-28-10-75(127)110-18-35-156-41-47-168-102-96(148)90(142)84(136)69(55-120)174-102;1-27(2)50-46(24-69-9-3-31(54)47-6-12-66-15-18-72-43-40(63)37(60)34(57)28(21-51)75-43,25-70-10-4-32(55)48-7-13-67-16-19-73-44-41(64)38(61)35(58)29(22-52)76-44)26-71-11-5-33(56)49-8-14-68-17-20-74-45-42(65)39(62)36(59)30(23-53)77-45/h62,64-69,79-102,115-120,131-148H,3-61H2,1-2H3,(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,130)(H,112,128)(H,113,129);27-30,34-45,50-53,57-65H,3-26H2,1-2H3,(H,47,54)(H,48,55)(H,49,56).
What are the key properties of N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide?
N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide has a molecular weight of 3665.85 g/mol, XLogP of -29.39, 139 rotatable bonds, 49 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]-3-[5-[[2-[2-[3-[[1,3-bis[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethylamino]-2-oxoethyl]-propan-2-ylamino]-4-oxopentoxy]propanamide;3-[3-[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]propoxy]methyl]-2-(propan-2-ylamino)propoxy]-N-[2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide is sourced from PubChem (CID 163638530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).