4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide

C108H139N31O17S4 — CID 46196821

IUPAC4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCSc1nc(-c2cccc(NCC(=O)NCc3cn([C@@H]4C[C@@H](C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5C[C@H](n6cc(CNC(=O)CNc7cccc(-c8nc(SC)nc9sc(C(=O)NC(C)(C)C)c(N)c89)c7)nn6)C[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(N)=O)N(C(C)=O)C4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1
InChIInChI=1S/C108H139N31O17S4/c1-58(140)136-56-65(138-54-63(122-124-138)50-114-79(141)52-112-61-24-10-22-59(46-61)85-81-83(109)87(90(144)120-107(2,3)4)159-92(81)118-105(116-85)157-8)48-77(136)103(155)134-44-19-33-74(134)101(153)133-43-21-35-76(133)102(154)137-57-66(139-55-64(123-125-139)51-115-80(142)53-113-62-25-11-23-60(47-62)86-82-84(110)88(91(145)121-108(5,6)7)160-93(82)119-106(117-86)158-9)49-78(137)104(156)135-45-20-34-75(135)100(152)132-42-18-32-73(132)99(151)131-41-17-31-72(131)98(150)130-40-16-30-71(130)97(149)129-39-15-29-70(129)96(148)128-38-14-28-69(128)95(147)127-37-13-27-68(127)94(146)126-36-12-26-67(126)89(111)143/h10-11,22-25,46-47,54-55,65-78,112-113H,12-21,26-45,48-53,56-57,109-110H2,1-9H3,(H2,111,143)(H,114,141)(H,115,142)(H,120,144)(H,121,145)/t65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+/m1/s1
InChIKeyBAPSLCDASQXZLR-VKQQPWHJSA-N
MW2271.77 g/mol
LogP4.73
Rot. Bonds30

About 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide

4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46196821) has the molecular formula C108H139N31O17S4 and a molecular weight of 2271.77 g/mol. Its IUPAC name is 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46196821
Molecular FormulaC108H139N31O17S4
Molecular Weight2271.77 g/mol
Exact Mass2269.98
IUPAC Name4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCSc1nc(-c2cccc(NCC(=O)NCc3cn([C@@H]4C[C@@H](C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5C[C@H](n6cc(CNC(=O)CNc7cccc(-c8nc(SC)nc9sc(C(=O)NC(C)(C)C)c(N)c89)c7)nn6)C[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(N)=O)N(C(C)=O)C4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1
InChIInChI=1S/C108H139N31O17S4/c1-58(140)136-56-65(138-54-63(122-124-138)50-114-79(141)52-112-61-24-10-22-59(46-61)85-81-83(109)87(90(144)120-107(2,3)4)159-92(81)118-105(116-85)157-8)48-77(136)103(155)134-44-19-33-74(134)101(153)133-43-21-35-76(133)102(154)137-57-66(139-55-64(123-125-139)51-115-80(142)53-113-62-25-11-23-60(47-62)86-82-84(110)88(91(145)121-108(5,6)7)160-93(82)119-106(117-86)158-9)49-78(137)104(156)135-45-20-34-75(135)100(152)132-42-18-32-73(132)99(151)131-41-17-31-72(131)98(150)130-40-16-30-71(130)97(149)129-39-15-29-70(129)96(148)128-38-14-28-69(128)95(147)127-37-13-27-68(127)94(146)126-36-12-26-67(126)89(111)143/h10-11,22-25,46-47,54-55,65-78,112-113H,12-21,26-45,48-53,56-57,109-110H2,1-9H3,(H2,111,143)(H,114,141)(H,115,142)(H,120,144)(H,121,145)/t65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+/m1/s1
InChIKeyBAPSLCDASQXZLR-VKQQPWHJSA-N
XLogP4.73
TPSA592.29 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002271.77
LogP ≤ 54.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide (CID 46196821) is 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide is CSc1nc(-c2cccc(NCC(=O)NCc3cn([C@@H]4C[C@@H](C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5C[C@H](n6cc(CNC(=O)CNc7cccc(-c8nc(SC)nc9sc(C(=O)NC(C)(C)C)c(N)c89)c7)nn6)C[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(=O)N5CCC[C@H]5C(N)=O)N(C(C)=O)C4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1.
What is the InChIKey of 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BAPSLCDASQXZLR-VKQQPWHJSA-N. The full InChI is InChI=1S/C108H139N31O17S4/c1-58(140)136-56-65(138-54-63(122-124-138)50-114-79(141)52-112-61-24-10-22-59(46-61)85-81-83(109)87(90(144)120-107(2,3)4)159-92(81)118-105(116-85)157-8)48-77(136)103(155)134-44-19-33-74(134)101(153)133-43-21-35-76(133)102(154)137-57-66(139-55-64(123-125-139)51-115-80(142)53-113-62-25-11-23-60(47-62)86-82-84(110)88(91(145)121-108(5,6)7)160-93(82)119-106(117-86)158-9)49-78(137)104(156)135-45-20-34-75(135)100(152)132-42-18-32-73(132)99(151)131-41-17-31-72(131)98(150)130-40-16-30-71(130)97(149)129-39-15-29-70(129)96(148)128-38-14-28-69(128)95(147)127-37-13-27-68(127)94(146)126-36-12-26-67(126)89(111)143/h10-11,22-25,46-47,54-55,65-78,112-113H,12-21,26-45,48-53,56-57,109-110H2,1-9H3,(H2,111,143)(H,114,141)(H,115,142)(H,120,144)(H,121,145)/t65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+/m1/s1.
What are the key properties of 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 2271.77 g/mol, XLogP of 4.73, 30 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-[[1-[(3R,5S)-1-acetyl-5-[(2S)-2-[(2S)-2-[(2S,4R)-4-[4-[[[2-[3-[5-amino-6-(tert-butylcarbamoyl)-2-methylsulfanylthieno[2,3-d]pyrimidin-4-yl]anilino]acetyl]amino]methyl]triazol-1-yl]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]triazol-4-yl]methylamino]-2-oxoethyl]amino]phenyl]-5-amino-N-tert-butyl-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46196821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).