N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide

C113H101F32N25O11S4 — CID 130252805

IUPACN-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide
SMILESC=C(CN(CCSc1c(F)c(F)nc(F)c1F)C(=O)CN(CCNc1c(F)c(F)nc(F)c1F)C(=O)CN(C(=O)CN(CCSc1c(F)c(F)nc(F)c1F)C(=O)CN(CCNc1c(F)c(F)nc(F)c1F)C(=O)CN(C(=O)CN(CCSc1c(F)c(F)nc(F)c1F)C(=O)CNCCNc1c(F)c(F)nc(F)c1F)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)N(CC(=O)N(CCNc1c(F)c(F)nc(F)c1F)CC(=O)N(CCSc1c(F)c(F)nc(F)c1F)CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C113H101F32N25O11S4/c1-54(167(55(2)59-18-10-6-11-19-59)51-68(176)160(31-28-149-91-76(116)100(132)153-101(133)77(91)117)46-66(174)165(36-40-184-96-86(126)110(142)158-111(143)87(96)127)49-71(179)168(44-63(146)171)56(3)60-20-12-7-13-21-60)43-163(34-38-182-94-82(122)106(138)156-107(139)83(94)123)65(173)45-161(32-29-150-92-78(118)102(134)154-103(135)79(92)119)69(177)53-170(58(5)62-24-16-9-17-25-62)73(181)50-166(37-41-185-97-88(128)112(144)159-113(145)89(97)129)67(175)47-162(33-30-151-93-80(120)104(136)155-105(137)81(93)121)70(178)52-169(57(4)61-22-14-8-15-23-61)72(180)48-164(35-39-183-95-84(124)108(140)157-109(141)85(95)125)64(172)42-147-26-27-148-90-74(114)98(130)152-99(131)75(90)115/h6-25,55-58,147H,1,26-53H2,2-5H3,(H2,146,171)(H,148,152)(H,149,153)(H,150,154)(H,151,155)/t55-,56-,57-,58-/m0/s1
InChIKeyIWHFOKRTCVIBBK-FFWKYUIQSA-N
MW2721.42 g/mol
LogP16.44
Rot. Bonds65

About N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide

N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide (PubChem CID 130252805) has the molecular formula C113H101F32N25O11S4 and a molecular weight of 2721.42 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide
PubChem CID130252805
Molecular FormulaC113H101F32N25O11S4
Molecular Weight2721.42 g/mol
Exact Mass2719.65
IUPAC NameN-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide
SMILESC=C(CN(CCSc1c(F)c(F)nc(F)c1F)C(=O)CN(CCNc1c(F)c(F)nc(F)c1F)C(=O)CN(C(=O)CN(CCSc1c(F)c(F)nc(F)c1F)C(=O)CN(CCNc1c(F)c(F)nc(F)c1F)C(=O)CN(C(=O)CN(CCSc1c(F)c(F)nc(F)c1F)C(=O)CNCCNc1c(F)c(F)nc(F)c1F)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)N(CC(=O)N(CCNc1c(F)c(F)nc(F)c1F)CC(=O)N(CCSc1c(F)c(F)nc(F)c1F)CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C113H101F32N25O11S4/c1-54(167(55(2)59-18-10-6-11-19-59)51-68(176)160(31-28-149-91-76(116)100(132)153-101(133)77(91)117)46-66(174)165(36-40-184-96-86(126)110(142)158-111(143)87(96)127)49-71(179)168(44-63(146)171)56(3)60-20-12-7-13-21-60)43-163(34-38-182-94-82(122)106(138)156-107(139)83(94)123)65(173)45-161(32-29-150-92-78(118)102(134)154-103(135)79(92)119)69(177)53-170(58(5)62-24-16-9-17-25-62)73(181)50-166(37-41-185-97-88(128)112(144)159-113(145)89(97)129)67(175)47-162(33-30-151-93-80(120)104(136)155-105(137)81(93)121)70(178)52-169(57(4)61-22-14-8-15-23-61)72(180)48-164(35-39-183-95-84(124)108(140)157-109(141)85(95)125)64(172)42-147-26-27-148-90-74(114)98(130)152-99(131)75(90)115/h6-25,55-58,147H,1,26-53H2,2-5H3,(H2,146,171)(H,148,152)(H,149,153)(H,150,154)(H,151,155)/t55-,56-,57-,58-/m0/s1
InChIKeyIWHFOKRTCVIBBK-FFWKYUIQSA-N
XLogP16.44
TPSA412.70 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds65
Heavy Atoms185
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002721.42
LogP ≤ 516.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide (CID 130252805) is N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide is C=C(CN(CCSc1c(F)c(F)nc(F)c1F)C(=O)CN(CCNc1c(F)c(F)nc(F)c1F)C(=O)CN(C(=O)CN(CCSc1c(F)c(F)nc(F)c1F)C(=O)CN(CCNc1c(F)c(F)nc(F)c1F)C(=O)CN(C(=O)CN(CCSc1c(F)c(F)nc(F)c1F)C(=O)CNCCNc1c(F)c(F)nc(F)c1F)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)N(CC(=O)N(CCNc1c(F)c(F)nc(F)c1F)CC(=O)N(CCSc1c(F)c(F)nc(F)c1F)CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide?
The InChIKey is IWHFOKRTCVIBBK-FFWKYUIQSA-N. The full InChI is InChI=1S/C113H101F32N25O11S4/c1-54(167(55(2)59-18-10-6-11-19-59)51-68(176)160(31-28-149-91-76(116)100(132)153-101(133)77(91)117)46-66(174)165(36-40-184-96-86(126)110(142)158-111(143)87(96)127)49-71(179)168(44-63(146)171)56(3)60-20-12-7-13-21-60)43-163(34-38-182-94-82(122)106(138)156-107(139)83(94)123)65(173)45-161(32-29-150-92-78(118)102(134)154-103(135)79(92)119)69(177)53-170(58(5)62-24-16-9-17-25-62)73(181)50-166(37-41-185-97-88(128)112(144)159-113(145)89(97)129)67(175)47-162(33-30-151-93-80(120)104(136)155-105(137)81(93)121)70(178)52-169(57(4)61-22-14-8-15-23-61)72(180)48-164(35-39-183-95-84(124)108(140)157-109(141)85(95)125)64(172)42-147-26-27-148-90-74(114)98(130)152-99(131)75(90)115/h6-25,55-58,147H,1,26-53H2,2-5H3,(H2,146,171)(H,148,152)(H,149,153)(H,150,154)(H,151,155)/t55-,56-,57-,58-/m0/s1.
What are the key properties of N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide?
N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide has a molecular weight of 2721.42 g/mol, XLogP of 16.44, 65 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]prop-2-enyl-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]amino]-2-oxoethyl]-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethylamino]-N-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]ethyl]acetamide is sourced from PubChem (CID 130252805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).