actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide

C113H191Ac14N19O44-6 — CID 158497117

IUPACactinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
SMILESCNC(=O)CCC(=O)OCC1OC(OCCCCCCNC(=O)CCC(NC(=O)CCC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCCCCCOC2OC(CO)C(O)C(O)C2[NH-])C(=O)NCCCCCOC2OC(CO)C(O)C(O)C2[NH-])C([NH-])C(O)C1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[NH-]C1C(OCCCCCCNC(=O)CCC(NC(=O)CCC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCCCCCCOC2OC(CO)C(O)C(O)C2[NH-])C(=O)NCCCCCCOC2OC(CO)C(O)C(O)C2[NH-])OC(CO)C(O)C1O
InChIInChI=1S/C58H97N10O23.C55H94N9O21.14Ac/c1-63-40(72)20-21-43(75)88-31-39-49(78)52(81)46(62)58(91-39)87-25-9-3-2-6-22-64-41(73)18-16-35(54(83)65-23-7-4-10-26-85-56-44(60)50(79)47(76)37(29-69)89-56)67-42(74)19-17-36(68-53(82)34(59)28-32-12-14-33(71)15-13-32)55(84)66-24-8-5-11-27-86-57-45(61)51(80)48(77)38(30-70)90-57;56-33(27-31-13-15-32(68)16-14-31)50(77)64-35(52(79)62-23-9-3-6-12-26-82-55-43(59)49(76)46(73)38(30-67)85-55)18-20-40(70)63-34(51(78)61-22-8-2-5-11-25-81-54-42(58)48(75)45(72)37(29-66)84-54)17-19-39(69)60-21-7-1-4-10-24-80-53-41(57)47(74)44(71)36(28-65)83-53;;;;;;;;;;;;;;/h12-15,34-39,44-52,56-58,60-62,69-71,76-81H,2-11,16-31,59H2,1H3,(H,63,72)(H,64,73)(H,65,83)(H,66,84)(H,67,74)(H,68,82);13-16,33-38,41-49,53-55,57-59,65-68,71-76H,1-12,17-30,56H2,(H,60,69)(H,61,78)(H,62,79)(H,63,70)(H,64,77);;;;;;;;;;;;;;/q2*-3;;;;;;;;;;;;;;
InChIKeyNAGCXKNFPYSSFG-UHFFFAOYSA-N
MW5697.86 g/mol
LogP-5.80
Rot. Bonds82

About actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide

actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (PubChem CID 158497117) has the molecular formula C113H191Ac14N19O44-6 and a molecular weight of 5697.86 g/mol. Its IUPAC name is actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.

Molecular Properties

Compound Nameactinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
PubChem CID158497117
Molecular FormulaC113H191Ac14N19O44-6
Molecular Weight5697.86 g/mol
Exact Mass5696.72
IUPAC Nameactinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
SMILESCNC(=O)CCC(=O)OCC1OC(OCCCCCCNC(=O)CCC(NC(=O)CCC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCCCCCOC2OC(CO)C(O)C(O)C2[NH-])C(=O)NCCCCCOC2OC(CO)C(O)C(O)C2[NH-])C([NH-])C(O)C1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[NH-]C1C(OCCCCCCNC(=O)CCC(NC(=O)CCC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCCCCCCOC2OC(CO)C(O)C(O)C2[NH-])C(=O)NCCCCCCOC2OC(CO)C(O)C(O)C2[NH-])OC(CO)C(O)C1O
InChIInChI=1S/C58H97N10O23.C55H94N9O21.14Ac/c1-63-40(72)20-21-43(75)88-31-39-49(78)52(81)46(62)58(91-39)87-25-9-3-2-6-22-64-41(73)18-16-35(54(83)65-23-7-4-10-26-85-56-44(60)50(79)47(76)37(29-69)89-56)67-42(74)19-17-36(68-53(82)34(59)28-32-12-14-33(71)15-13-32)55(84)66-24-8-5-11-27-86-57-45(61)51(80)48(77)38(30-70)90-57;56-33(27-31-13-15-32(68)16-14-31)50(77)64-35(52(79)62-23-9-3-6-12-26-82-55-43(59)49(76)46(73)38(30-67)85-55)18-20-40(70)63-34(51(78)61-22-8-2-5-11-25-81-54-42(58)48(75)45(72)37(29-66)84-54)17-19-39(69)60-21-7-1-4-10-24-80-53-41(57)47(74)44(71)36(28-65)83-53;;;;;;;;;;;;;;/h12-15,34-39,44-52,56-58,60-62,69-71,76-81H,2-11,16-31,59H2,1H3,(H,63,72)(H,64,73)(H,65,83)(H,66,84)(H,67,74)(H,68,82);13-16,33-38,41-49,53-55,57-59,65-68,71-76H,1-12,17-30,56H2,(H,60,69)(H,61,78)(H,62,79)(H,63,70)(H,64,77);;;;;;;;;;;;;;/q2*-3;;;;;;;;;;;;;;
InChIKeyNAGCXKNFPYSSFG-UHFFFAOYSA-N
XLogP-5.80
TPSA1036.37 Ų
H-Bond Donors32
H-Bond Acceptors46
Rotatable Bonds82
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005697.86
LogP ≤ 5-5.80
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

actinium;[2-[6-[[2-[[2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide
CID 18737920
N,N'-bis[2-[6-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]butanediamide
CID 118883402
benzyl 7-[[5-[[1-[6-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-[[1,5-bis[6-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]heptanoate
CID 174062929
benzyl 6-[[(2S)-5-[[1,5-dioxo-1,5-bis[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]pentan-2-yl]amino]-1,5-dioxo-1-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]pentan-2-yl]amino]-6-oxohexanoate
CID 155369265
N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide
CID 163980994
N-[(5S)-5-(hexadecanoylamino)-6-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[2-oxo-2-[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]ethyl]amino]-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-oxohexyl]hexadecanamide
CID 101046151
2,6-bis[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-N-[6-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-1-[[6-(2-methylpropylamino)-6-oxohexyl]amino]-1-oxohexan-2-yl]hexanamide
CID 137410424
(2S)-N-[(2S)-1-[[(5S)-6-amino-5-[[(2S)-2-[[(2S)-2,6-bis[[(2S)-3-(4-hydroxyphenyl)-2-[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-6-oxohexyl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]propanoyl]amino]-6-[[(2S)-3-(4-hydroxyphenyl)-2-[3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]propanoyl]amino]hexanamide
CID 54583467
(2S)-2-[[(2S)-2,6-bis[5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanoyl]amino]-6-[5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanoic acid
CID 10748630
actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide
CID 59894670
2,6-bis[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-N-[6-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]-1-[[6-(3-methoxypropylamino)-6-oxohexyl]amino]-1-oxohexan-2-yl]hexanamide
CID 165000939
N-[(5S)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
CID 159616515

Frequently Asked Questions

What is the IUPAC name of actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?
The IUPAC name of actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide (CID 158497117) is actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide.
What is the SMILES notation for actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?
The canonical SMILES for actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is CNC(=O)CCC(=O)OCC1OC(OCCCCCCNC(=O)CCC(NC(=O)CCC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCCCCCOC2OC(CO)C(O)C(O)C2[NH-])C(=O)NCCCCCOC2OC(CO)C(O)C(O)C2[NH-])C([NH-])C(O)C1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[NH-]C1C(OCCCCCCNC(=O)CCC(NC(=O)CCC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCCCCCCOC2OC(CO)C(O)C(O)C2[NH-])C(=O)NCCCCCCOC2OC(CO)C(O)C(O)C2[NH-])OC(CO)C(O)C1O.
What is the InChIKey of actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?
The InChIKey is NAGCXKNFPYSSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H97N10O23.C55H94N9O21.14Ac/c1-63-40(72)20-21-43(75)88-31-39-49(78)52(81)46(62)58(91-39)87-25-9-3-2-6-22-64-41(73)18-16-35(54(83)65-23-7-4-10-26-85-56-44(60)50(79)47(76)37(29-69)89-56)67-42(74)19-17-36(68-53(82)34(59)28-32-12-14-33(71)15-13-32)55(84)66-24-8-5-11-27-86-57-45(61)51(80)48(77)38(30-70)90-57;56-33(27-31-13-15-32(68)16-14-31)50(77)64-35(52(79)62-23-9-3-6-12-26-82-55-43(59)49(76)46(73)38(30-67)85-55)18-20-40(70)63-34(51(78)61-22-8-2-5-11-25-81-54-42(58)48(75)45(72)37(29-66)84-54)17-19-39(69)60-21-7-1-4-10-24-80-53-41(57)47(74)44(71)36(28-65)83-53;;;;;;;;;;;;;;/h12-15,34-39,44-52,56-58,60-62,69-71,76-81H,2-11,16-31,59H2,1H3,(H,63,72)(H,64,73)(H,65,83)(H,66,84)(H,67,74)(H,68,82);13-16,33-38,41-49,53-55,57-59,65-68,71-76H,1-12,17-30,56H2,(H,60,69)(H,61,78)(H,62,79)(H,63,70)(H,64,77);;;;;;;;;;;;;;/q2*-3;;;;;;;;;;;;;;.
What are the key properties of actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide?
actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide has a molecular weight of 5697.86 g/mol, XLogP of -5.80, 82 rotatable bonds, 32 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[2-[6-[[2-[[4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-5-oxopentanoyl]amino]hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide;[2-[5-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[5-[3-azanidyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-5-[6-[3-azanidyl-4,5-dihydroxy-6-[[4-(methylamino)-4-oxobutanoyl]oxymethyl]oxan-2-yl]oxyhexylamino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide is sourced from PubChem (CID 158497117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).