tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate)

C234H394F15I5N49O56Pt5-18 — CID 160520950

IUPACtris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate)
SMILESC.C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.I[Pt].I[Pt].I[Pt].I[Pt].I[Pt].O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.OCC[N-]CC[N-]CCO.[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)CCc1ccncc1.[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)c1cc(C(=O)CCc2ccncc2)cc(C(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])c1.[NH-]CC[N-]CCO.[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[NH-]
InChIInChI=1S/2C53H92N9O10.C46H78N7O7.C36H53N9O11.C18H29N5O5.C6H14N2O2.C4H10N2O.5C2HF3O2.3C2H6N2.2CH4.5HI.5Pt/c2*1-13-37(6)47(61(10)52(67)45(35(2)3)59-51(66)46(36(4)5)60(8)9)43(69-11)33-44(63)62-27-17-20-42(62)48(70-12)38(7)49(64)58-41(32-39-18-15-14-16-19-39)50(65)55-25-28-71-30-31-72-29-26-56-53(68)57-34-40-21-23-54-24-22-40;1-13-31(6)41(52(10)46(58)39(29(2)3)50-45(57)40(30(4)5)51(8)9)37(59-11)27-38(54)53-25-17-20-36(53)42(60-12)32(7)43(55)49-35(26-33-18-15-14-16-19-33)44(56)48-28-34-21-23-47-24-22-34;37-44-42-9-13-51-17-21-55-25-23-53-19-15-49-11-7-40-35(47)32-27-31(34(46)2-1-30-3-5-39-6-4-30)28-33(29-32)36(48)41-8-12-50-16-20-54-24-26-56-22-18-52-14-10-43-45-38;19-23-22-8-10-26-12-14-28-16-15-27-13-11-25-9-7-21-18(24)2-1-17-3-5-20-6-4-17;9-5-3-7-1-2-8-4-6-10;5-1-2-6-3-4-7;5*3-2(4,5)1(6)7;3*3-1-2-4;;;;;;;;;;;;/h2*14-16,18-19,35-38,40-43,45-48H,13,17,20-34H2,1-12H3,(H,55,65)(H,58,64)(H,59,66)(H2,56,57,68);14-16,18-19,29-32,34-37,39-42H,13,17,20-28H2,1-12H3,(H,48,56)(H,49,55)(H,50,57);3-6,27-29H,1-2,7-26H2,(H,40,47)(H,41,48);3-6H,1-2,7-16H2,(H,21,24);9-10H,1-6H2;5,7H,1-4H2;5*(H,6,7);3*3-4H,1-2H2;2*1H4;5*1H;;;;;/q3*-1;;;2*-2;;;;;;3*-2;;;;;;;;5*+1/p-10/t2*37-,38+,41-,42-,43+,45-,46-,47-,48+;31-,32+,35-,36-,37+,39-,40-,41-,42+;;;;;;;;;;;;;;;;;;;;;;;;/m000......................../s1
InChIKeyJWPJPAPSEIFVLD-SAQDUHIGSA-D
MW6684.89 g/mol
LogP21.64
Rot. Bonds155

About tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate)

tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate) (PubChem CID 160520950) has the molecular formula C234H394F15I5N49O56Pt5-18 and a molecular weight of 6684.89 g/mol. Its IUPAC name is tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate).

Molecular Properties

Compound Nametris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate)
PubChem CID160520950
Molecular FormulaC234H394F15I5N49O56Pt5-18
Molecular Weight6684.89 g/mol
Exact Mass6681.28
IUPAC Nametris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate)
SMILESC.C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.I[Pt].I[Pt].I[Pt].I[Pt].I[Pt].O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.OCC[N-]CC[N-]CCO.[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)CCc1ccncc1.[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)c1cc(C(=O)CCc2ccncc2)cc(C(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])c1.[NH-]CC[N-]CCO.[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[NH-]
InChIInChI=1S/2C53H92N9O10.C46H78N7O7.C36H53N9O11.C18H29N5O5.C6H14N2O2.C4H10N2O.5C2HF3O2.3C2H6N2.2CH4.5HI.5Pt/c2*1-13-37(6)47(61(10)52(67)45(35(2)3)59-51(66)46(36(4)5)60(8)9)43(69-11)33-44(63)62-27-17-20-42(62)48(70-12)38(7)49(64)58-41(32-39-18-15-14-16-19-39)50(65)55-25-28-71-30-31-72-29-26-56-53(68)57-34-40-21-23-54-24-22-40;1-13-31(6)41(52(10)46(58)39(29(2)3)50-45(57)40(30(4)5)51(8)9)37(59-11)27-38(54)53-25-17-20-36(53)42(60-12)32(7)43(55)49-35(26-33-18-15-14-16-19-33)44(56)48-28-34-21-23-47-24-22-34;37-44-42-9-13-51-17-21-55-25-23-53-19-15-49-11-7-40-35(47)32-27-31(34(46)2-1-30-3-5-39-6-4-30)28-33(29-32)36(48)41-8-12-50-16-20-54-24-26-56-22-18-52-14-10-43-45-38;19-23-22-8-10-26-12-14-28-16-15-27-13-11-25-9-7-21-18(24)2-1-17-3-5-20-6-4-17;9-5-3-7-1-2-8-4-6-10;5-1-2-6-3-4-7;5*3-2(4,5)1(6)7;3*3-1-2-4;;;;;;;;;;;;/h2*14-16,18-19,35-38,40-43,45-48H,13,17,20-34H2,1-12H3,(H,55,65)(H,58,64)(H,59,66)(H2,56,57,68);14-16,18-19,29-32,34-37,39-42H,13,17,20-28H2,1-12H3,(H,48,56)(H,49,55)(H,50,57);3-6,27-29H,1-2,7-26H2,(H,40,47)(H,41,48);3-6H,1-2,7-16H2,(H,21,24);9-10H,1-6H2;5,7H,1-4H2;5*(H,6,7);3*3-4H,1-2H2;2*1H4;5*1H;;;;;/q3*-1;;;2*-2;;;;;;3*-2;;;;;;;;5*+1/p-10/t2*37-,38+,41-,42-,43+,45-,46-,47-,48+;31-,32+,35-,36-,37+,39-,40-,41-,42+;;;;;;;;;;;;;;;;;;;;;;;;/m000......................../s1
InChIKeyJWPJPAPSEIFVLD-SAQDUHIGSA-D
XLogP21.64
TPSA1467.77 Ų
H-Bond Donors19
H-Bond Acceptors64
Rotatable Bonds155
Heavy Atoms364
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006684.89
LogP ≤ 521.64
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1064

Analyze tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate)?
The IUPAC name of tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate) (CID 160520950) is tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate).
What is the SMILES notation for tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate)?
The canonical SMILES for tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate) is C.C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.I[Pt].I[Pt].I[Pt].I[Pt].I[Pt].O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.OCC[N-]CC[N-]CCO.[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)CCc1ccncc1.[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)c1cc(C(=O)CCc2ccncc2)cc(C(=O)NCCOCCOCCOCCOCCN=[N+]=[N-])c1.[NH-]CC[N-]CCO.[NH-]CC[NH-].[NH-]CC[NH-].[NH-]CC[NH-].
What is the InChIKey of tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate)?
The InChIKey is JWPJPAPSEIFVLD-SAQDUHIGSA-D. The full InChI is InChI=1S/2C53H92N9O10.C46H78N7O7.C36H53N9O11.C18H29N5O5.C6H14N2O2.C4H10N2O.5C2HF3O2.3C2H6N2.2CH4.5HI.5Pt/c2*1-13-37(6)47(61(10)52(67)45(35(2)3)59-51(66)46(36(4)5)60(8)9)43(69-11)33-44(63)62-27-17-20-42(62)48(70-12)38(7)49(64)58-41(32-39-18-15-14-16-19-39)50(65)55-25-28-71-30-31-72-29-26-56-53(68)57-34-40-21-23-54-24-22-40;1-13-31(6)41(52(10)46(58)39(29(2)3)50-45(57)40(30(4)5)51(8)9)37(59-11)27-38(54)53-25-17-20-36(53)42(60-12)32(7)43(55)49-35(26-33-18-15-14-16-19-33)44(56)48-28-34-21-23-47-24-22-34;37-44-42-9-13-51-17-21-55-25-23-53-19-15-49-11-7-40-35(47)32-27-31(34(46)2-1-30-3-5-39-6-4-30)28-33(29-32)36(48)41-8-12-50-16-20-54-24-26-56-22-18-52-14-10-43-45-38;19-23-22-8-10-26-12-14-28-16-15-27-13-11-25-9-7-21-18(24)2-1-17-3-5-20-6-4-17;9-5-3-7-1-2-8-4-6-10;5-1-2-6-3-4-7;5*3-2(4,5)1(6)7;3*3-1-2-4;;;;;;;;;;;;/h2*14-16,18-19,35-38,40-43,45-48H,13,17,20-34H2,1-12H3,(H,55,65)(H,58,64)(H,59,66)(H2,56,57,68);14-16,18-19,29-32,34-37,39-42H,13,17,20-28H2,1-12H3,(H,48,56)(H,49,55)(H,50,57);3-6,27-29H,1-2,7-26H2,(H,40,47)(H,41,48);3-6H,1-2,7-16H2,(H,21,24);9-10H,1-6H2;5,7H,1-4H2;5*(H,6,7);3*3-4H,1-2H2;2*1H4;5*1H;;;;;/q3*-1;;;2*-2;;;;;;3*-2;;;;;;;;5*+1/p-10/t2*37-,38+,41-,42-,43+,45-,46-,47-,48+;31-,32+,35-,36-,37+,39-,40-,41-,42+;;;;;;;;;;;;;;;;;;;;;;;;/m000......................../s1.
What are the key properties of tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate)?
tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate) has a molecular weight of 6684.89 g/mol, XLogP of 21.64, 155 rotatable bonds, 19 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-azanidylethylazanide);2-azanidylethyl(2-hydroxyethyl)azanide;N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-pyridin-4-ylpropanamide;1-N,3-N-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(3-pyridin-4-ylpropanoyl)benzene-1,3-dicarboxamide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-(piperidin-1-id-4-ylmethylamino)propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;bis((2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide);2-hydroxyethyl-[2-(2-hydroxyethylazanidyl)ethyl]azanide;iodoplatinum;methane;pentakis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 160520950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).