(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde

C176H211F3N34O33 — CID 158385412

About (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde

(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 158385412) has the molecular formula C176H211F3N34O33 and a molecular weight of 3387.82 g/mol. Its IUPAC name is (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158385412
• Molecular Formula: C176H211F3N34O33
• Molecular Weight: 3387.82 g/mol
• Exact Mass: 3385.58
• IUPAC Name: (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)C[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](c1n[nH]c(=O)o1)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)C[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](c1n[nH]c(=O)o1)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C)N(C)C(=O)OC(C)(C)C.O=CC(F)(F)F
• InChI: InChI=1S/C92H113N17O18.C82H97N17O14.C2HF3O/c1-52(104(15)87(121)126-91(9,10)11)77(111)96-75(89(3,4)5)83(116)106-39-37-70-73(106)80(114)93-67(45-56-25-31-58-21-17-19-23-60(58)42-56)72(110)47-62(85(118)119)41-54-27-33-65(34-28-54)123-50-64-49-109(103-99-64)71-38-40-107(84(117)76(90(6,7)8)97-78(112)53(2)105(16)88(122)127-92(12,13)14)74(71)81(115)94-68(46-57-26-32-59-22-18-20-24-61(59)43-57)79(113)95-69(82-100-101-86(120)125-82)44-55-29-35-66(36-30-55)124-51-63-48-108(70)102-98-63;1-46(83-9)71(101)88-69(81(3,4)5)77(106)96-33-31-64-67(96)74(104)85-61(39-50-19-25-52-15-11-13-17-54(52)36-50)66(100)41-56(79(108)109)35-48-21-27-59(28-22-48)111-44-58-43-99(95-91-58)65-32-34-97(78(107)70(82(6,7)8)89-72(102)47(2)84-10)68(65)75(105)86-62(40-51-20-26-53-16-12-14-18-55(53)37-51)73(103)87-63(76-92-93-80(110)113-76)38-49-23-29-60(30-24-49)112-45-57-42-98(64)94-90-57;3-2(4,5)1-6/h17-36,42-43,48-49,52-53,62,67-71,73-76H,37-41,44-47,50-51H2,1-16H3,(H,93,114)(H,94,115)(H,95,113)(H,96,111)(H,97,112)(H,101,120)(H,118,119);11-30,36-37,42-43,46-47,56,61-65,67-70,83-84H,31-35,38-41,44-45H2,1-10H3,(H,85,104)(H,86,105)(H,87,103)(H,88,101)(H,89,102)(H,93,110)(H,108,109);1H/t52-,53-,62+,67-,68-,69-,70+,71+,73-,74-,75+,76+;46-,47-,56+,61-,62-,63-,64+,65+,67-,68-,69+,70+;/m00./s1
• InChIKey: GWHQENGMVJRAPN-JTLNEWFGSA-N
• XLogP: 14.73
• TPSA: 858.73 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 47
• Rotatable Bonds: 28
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3387.82
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde?

The IUPAC name of (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde (CID 158385412) is (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)C[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](c1n[nH]c(=O)o1)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)C[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](c1n[nH]c(=O)o1)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C)N(C)C(=O)OC(C)(C)C.O=CC(F)(F)F.

What is the InChIKey of (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde?

The InChIKey is GWHQENGMVJRAPN-JTLNEWFGSA-N. The full InChI is InChI=1S/C92H113N17O18.C82H97N17O14.C2HF3O/c1-52(104(15)87(121)126-91(9,10)11)77(111)96-75(89(3,4)5)83(116)106-39-37-70-73(106)80(114)93-67(45-56-25-31-58-21-17-19-23-60(58)42-56)72(110)47-62(85(118)119)41-54-27-33-65(34-28-54)123-50-64-49-109(103-99-64)71-38-40-107(84(117)76(90(6,7)8)97-78(112)53(2)105(16)88(122)127-92(12,13)14)74(71)81(115)94-68(46-57-26-32-59-22-18-20-24-61(59)43-57)79(113)95-69(82-100-101-86(120)125-82)44-55-29-35-66(36-30-55)124-51-63-48-108(70)102-98-63;1-46(83-9)71(101)88-69(81(3,4)5)77(106)96-33-31-64-67(96)74(104)85-61(39-50-19-25-52-15-11-13-17-54(52)36-50)66(100)41-56(79(108)109)35-48-21-27-59(28-22-48)111-44-58-43-99(95-91-58)65-32-34-97(78(107)70(82(6,7)8)89-72(102)47(2)84-10)68(65)75(105)86-62(40-51-20-26-53-16-12-14-18-55(53)37-51)73(103)87-63(76-92-93-80(110)113-76)38-49-23-29-60(30-24-49)112-45-57-42-98(64)94-90-57;3-2(4,5)1-6/h17-36,42-43,48-49,52-53,62,67-71,73-76H,37-41,44-47,50-51H2,1-16H3,(H,93,114)(H,94,115)(H,95,113)(H,96,111)(H,97,112)(H,101,120)(H,118,119);11-30,36-37,42-43,46-47,56,61-65,67-70,83-84H,31-35,38-41,44-45H2,1-10H3,(H,85,104)(H,86,105)(H,87,103)(H,88,101)(H,89,102)(H,93,110)(H,108,109);1H/t52-,53-,62+,67-,68-,69-,70+,71+,73-,74-,75+,76+;46-,47-,56+,61-,62-,63-,64+,65+,67-,68-,69+,70+;/m00./s1.

What are the key properties of (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde?

(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 3387.82 g/mol, XLogP of 14.73, 28 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;(8R,12S,15S,18S,30R,34S,37S,40R)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-18-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36-undecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-40-carboxylic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158385412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).