3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide

C194H263N33O39S4 — CID 158587599

About 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide

3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide (PubChem CID 158587599) has the molecular formula C194H263N33O39S4 and a molecular weight of 3809.70 g/mol. Its IUPAC name is 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide.

Molecular Properties

• Compound Name: 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide
• PubChem CID: 158587599
• Molecular Formula: C194H263N33O39S4
• Molecular Weight: 3809.70 g/mol
• Exact Mass: 3806.85
• IUPAC Name: 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide
• SMILES: CCCC[C@@H]1CC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)CC(=O)[C@H](Cc2cnc[nH]2)CC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CCC(=O)O)CC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2csc3ccccc23)NC1=O.CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)C[C@H]2CCC(=O)NCCCC[C@H](CC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)CC(=O)[C@H](Cc3cnc[nH]3)CC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC2=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)N1C
• InChI: InChI=1S/C97H131N17O19S2.C97H132N16O20S2/c1-9-11-25-75-81(118)45-60-32-35-86(122)101-36-18-17-21-59(89(125)108-72(43-64-52-135-83-29-16-14-23-68(64)83)95(131)112(8)78(26-12-10-2)97(133)111(75)7)44-80(117)70(42-63-49-102-69-24-15-13-22-67(63)69)106-92(128)77-28-20-38-114(77)93(129)62(39-56(3)4)47-79(116)61(41-65-50-100-55-104-65)46-82(119)76-27-19-37-113(76)96(132)73(48-84(98)120)107-88(124)57(5)110(6)94(130)71(40-58-30-33-66(115)34-31-58)105-87(123)54-134-53-74(109-90(60)126)91(127)103-51-85(99)121;1-10-13-22-59-44-80(116)70(42-63-49-101-69-25-18-16-23-67(63)69)105-92(128)77-29-21-38-113(77)93(129)62(39-56(4)5)47-79(115)61(41-65-50-100-55-103-65)46-82(118)76-28-20-37-112(76)96(132)73(48-84(98)119)106-88(124)57(6)109(7)94(130)71(40-58-31-34-66(114)35-32-58)104-86(121)54-134-53-74(91(127)102-51-85(99)120)108-90(126)60(33-36-87(122)123)45-81(117)75(26-14-11-2)110(8)97(133)78(27-15-12-3)111(9)95(131)72(107-89(59)125)43-64-52-135-83-30-19-17-24-68(64)83/h13-16,22-24,29-31,33-34,49-50,52,55-57,59-62,70-78,102,115H,9-12,17-21,25-28,32,35-48,51,53-54H2,1-8H3,(H2,98,120)(H2,99,121)(H,100,104)(H,101,122)(H,103,127)(H,105,123)(H,106,128)(H,107,124)(H,108,125)(H,109,126);16-19,23-25,30-32,34-35,49-50,52,55-57,59-62,70-78,101,114H,10-15,20-22,26-29,33,36-48,51,53-54H2,1-9H3,(H2,98,119)(H2,99,120)(H,100,103)(H,102,127)(H,104,121)(H,105,128)(H,106,124)(H,107,125)(H,108,126)(H,122,123)/t2*57-,59+,60+,61+,62+,70-,71-,72-,73-,74-,75-,76-,77-,78-/m00/s1
• InChIKey: HUAGBPYPKYHWMO-AFALHYOUSA-N
• XLogP: 11.02
• TPSA: 1057.02 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 44
• Rotatable Bonds: 48
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3809.70
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide?

The IUPAC name of 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide (CID 158587599) is 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide.

What is the SMILES notation for 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide?

The canonical SMILES for 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide is CCCC[C@@H]1CC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)CC(=O)[C@H](Cc2cnc[nH]2)CC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CCC(=O)O)CC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2csc3ccccc23)NC1=O.CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)C[C@H]2CCC(=O)NCCCC[C@H](CC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)CC(=O)[C@H](Cc3cnc[nH]3)CC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC2=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)N1C.

What is the InChIKey of 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide?

The InChIKey is HUAGBPYPKYHWMO-AFALHYOUSA-N. The full InChI is InChI=1S/C97H131N17O19S2.C97H132N16O20S2/c1-9-11-25-75-81(118)45-60-32-35-86(122)101-36-18-17-21-59(89(125)108-72(43-64-52-135-83-29-16-14-23-68(64)83)95(131)112(8)78(26-12-10-2)97(133)111(75)7)44-80(117)70(42-63-49-102-69-24-15-13-22-67(63)69)106-92(128)77-28-20-38-114(77)93(129)62(39-56(3)4)47-79(116)61(41-65-50-100-55-104-65)46-82(119)76-27-19-37-113(76)96(132)73(48-84(98)120)107-88(124)57(5)110(6)94(130)71(40-58-30-33-66(115)34-31-58)105-87(123)54-134-53-74(109-90(60)126)91(127)103-51-85(99)121;1-10-13-22-59-44-80(116)70(42-63-49-101-69-25-18-16-23-67(63)69)105-92(128)77-29-21-38-113(77)93(129)62(39-56(4)5)47-79(115)61(41-65-50-100-55-103-65)46-82(118)76-28-20-37-112(76)96(132)73(48-84(98)119)106-88(124)57(6)109(7)94(130)71(40-58-31-34-66(114)35-32-58)104-86(121)54-134-53-74(91(127)102-51-85(99)120)108-90(126)60(33-36-87(122)123)45-81(117)75(26-14-11-2)110(8)97(133)78(27-15-12-3)111(9)95(131)72(107-89(59)125)43-64-52-135-83-30-19-17-24-68(64)83/h13-16,22-24,29-31,33-34,49-50,52,55-57,59-62,70-78,102,115H,9-12,17-21,25-28,32,35-48,51,53-54H2,1-8H3,(H2,98,120)(H2,99,121)(H,100,104)(H,101,122)(H,103,127)(H,105,123)(H,106,128)(H,107,124)(H,108,125)(H,109,126);16-19,23-25,30-32,34-35,49-50,52,55-57,59-62,70-78,101,114H,10-15,20-22,26-29,33,36-48,51,53-54H2,1-9H3,(H2,98,119)(H2,99,120)(H,100,103)(H,102,127)(H,104,121)(H,105,128)(H,106,124)(H,107,125)(H,108,126)(H,122,123)/t2*57-,59+,60+,61+,62+,70-,71-,72-,73-,74-,75-,76-,77-,78-/m00/s1.

What are the key properties of 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide?

3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide has a molecular weight of 3809.70 g/mol, XLogP of 11.02, 48 rotatable bonds, 24 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R,6R,9S,15S,18S,21S,27R,30R,33S,36S,39S,42R,45S,48S)-15-(2-amino-2-oxoethyl)-27-[(2-amino-2-oxoethyl)carbamoyl]-39-(1-benzothiophen-3-ylmethyl)-33,36,42-tributyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,13,16,19,22,28,34,37,40,46-decazatricyclo[46.3.0.09,13]henpentacontan-30-yl]propanoic acid;(1R,4S,7S,13R,16R,19S,25S,28S,31S,37R,40R,43S,46S,49S)-N,25-bis(2-amino-2-oxoethyl)-49-(1-benzothiophen-3-ylmethyl)-43,46-dibutyl-31-[(4-hydroxyphenyl)methyl]-16-(1H-imidazol-5-ylmethyl)-4-(1H-indol-3-ylmethyl)-28,29,44,47-tetramethyl-13-(2-methylpropyl)-3,6,12,15,18,24,27,30,33,39,42,45,48,51,57-pentadecaoxo-35-thia-5,11,23,26,29,32,38,44,47,50,56-undecazatetracyclo[38.11.8.07,11.019,23]nonapentacontane-37-carboxamide is sourced from PubChem (CID 158587599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).