3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid

C141H183N29O36S3 — CID 155608169

About 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid

3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid (PubChem CID 155608169) has the molecular formula C141H183N29O36S3 and a molecular weight of 2956.38 g/mol. Its IUPAC name is 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid
• PubChem CID: 155608169
• Molecular Formula: C141H183N29O36S3
• Molecular Weight: 2956.38 g/mol
• Exact Mass: 2954.25
• IUPAC Name: 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid
• SMILES: CCOCc1nc2c(NC(=O)OCCN(C)C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)Cn4cc(CCC(=O)NCCC(=O)N(C)CC(=O)N[C@@H](C)C(=O)C[C@H]5CSCc6cc7cc(c6)CSC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](Cc6cccc8ccccc68)CC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)NC5=O)C(=O)N[C@@H](CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)(C)C)C(=O)C[C@H](C(N)=O)CSC7)nn4)C(C)C)cc3)nc3ccccc3c2n1CC(C)(C)O
• InChI: InChI=1S/C141H183N29O36S3/c1-15-96-128(191)158-103(62-116(182)183)133(196)157-100(55-80-26-18-17-19-27-80)130(193)156-101(56-81-37-42-93(171)43-38-81)131(194)159-104(63-117(184)185)134(197)163-121(140(8,9)10)108(174)59-89(122(143)186)72-207-69-83-52-84-54-85(53-83)71-209-74-105(135(198)152-96)160-125(188)79(7)148-126(189)88(57-87-30-24-29-86-28-20-21-31-94(86)87)58-107(173)98(44-46-115(180)181)153-132(195)102(61-109(142)175)155-124(187)78(6)149-127(190)90(73-208-70-84)60-106(172)77(5)147-112(177)65-168(14)114(179)47-49-145-111(176)45-41-92-64-169(166-165-92)66-113(178)162-118(76(3)4)136(199)154-99(34-25-48-146-137(144)200)129(192)150-91-39-35-82(36-40-91)67-206-139(202)167(13)50-51-205-138(201)164-123-119-120(95-32-22-23-33-97(95)151-123)170(75-141(11,12)203)110(161-119)68-204-16-2/h17-24,26-33,35-40,42-43,52-54,64,76-79,88-90,96,98-105,118,121,171,203H,15-16,25,34,41,44-51,55-63,65-75H2,1-14H3,(H2,142,175)(H2,143,186)(H,145,176)(H,147,177)(H,148,189)(H,149,190)(H,150,192)(H,152,198)(H,153,195)(H,154,199)(H,155,187)(H,156,193)(H,157,196)(H,158,191)(H,159,194)(H,160,188)(H,162,178)(H,163,197)(H,180,181)(H,182,183)(H,184,185)(H3,144,146,200)(H,151,164,201)/t77-,78+,79+,88+,89-,90-,96-,98-,99-,100-,101-,102-,103-,104-,105+,118-,121+/m0/s1
• InChIKey: PWCUCLSRIJVISI-XBETYSEQSA-N
• XLogP: 3.16
• TPSA: 969.30 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 42
• Rotatable Bonds: 52
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2956.38
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid?

The IUPAC name of 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid (CID 155608169) is 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid.

What is the SMILES notation for 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid?

The canonical SMILES for 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid is CCOCc1nc2c(NC(=O)OCCN(C)C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)Cn4cc(CCC(=O)NCCC(=O)N(C)CC(=O)N[C@@H](C)C(=O)C[C@H]5CSCc6cc7cc(c6)CSC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](Cc6cccc8ccccc68)CC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](C)NC5=O)C(=O)N[C@@H](CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)(C)C)C(=O)C[C@H](C(N)=O)CSC7)nn4)C(C)C)cc3)nc3ccccc3c2n1CC(C)(C)O.

What is the InChIKey of 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid?

The InChIKey is PWCUCLSRIJVISI-XBETYSEQSA-N. The full InChI is InChI=1S/C141H183N29O36S3/c1-15-96-128(191)158-103(62-116(182)183)133(196)157-100(55-80-26-18-17-19-27-80)130(193)156-101(56-81-37-42-93(171)43-38-81)131(194)159-104(63-117(184)185)134(197)163-121(140(8,9)10)108(174)59-89(122(143)186)72-207-69-83-52-84-54-85(53-83)71-209-74-105(135(198)152-96)160-125(188)79(7)148-126(189)88(57-87-30-24-29-86-28-20-21-31-94(86)87)58-107(173)98(44-46-115(180)181)153-132(195)102(61-109(142)175)155-124(187)78(6)149-127(190)90(73-208-70-84)60-106(172)77(5)147-112(177)65-168(14)114(179)47-49-145-111(176)45-41-92-64-169(166-165-92)66-113(178)162-118(76(3)4)136(199)154-99(34-25-48-146-137(144)200)129(192)150-91-39-35-82(36-40-91)67-206-139(202)167(13)50-51-205-138(201)164-123-119-120(95-32-22-23-33-97(95)151-123)170(75-141(11,12)203)110(161-119)68-204-16-2/h17-24,26-33,35-40,42-43,52-54,64,76-79,88-90,96,98-105,118,121,171,203H,15-16,25,34,41,44-51,55-63,65-75H2,1-14H3,(H2,142,175)(H2,143,186)(H,145,176)(H,147,177)(H,148,189)(H,149,190)(H,150,192)(H,152,198)(H,153,195)(H,154,199)(H,155,187)(H,156,193)(H,157,196)(H,158,191)(H,159,194)(H,160,188)(H,162,178)(H,163,197)(H,180,181)(H,182,183)(H,184,185)(H3,144,146,200)(H,151,164,201)/t77-,78+,79+,88+,89-,90-,96-,98-,99-,100-,101-,102-,103-,104-,105+,118-,121+/m0/s1.

What are the key properties of 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid?

3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid has a molecular weight of 2956.38 g/mol, XLogP of 3.16, 52 rotatable bonds, 26 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(7R,10S,13S,16S,19S,22S,25S,28S,31R,34R,37S,40S,43R,46R)-40-(2-amino-2-oxoethyl)-19-benzyl-10-tert-butyl-7-carbamoyl-46-[(3S)-3-[[2-[3-[3-[1-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[2-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoyloxy]ethyl-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]triazol-4-yl]propanoylamino]propanoyl-methylamino]acetyl]amino]-2-oxobutyl]-13,22-bis(carboxymethyl)-25-ethyl-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-11,14,17,20,23,26,29,32,38,41,44-undecazatricyclo[26.23.3.13,50]pentapentaconta-1,3(55),50-trien-37-yl]propanoic acid is sourced from PubChem (CID 155608169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).