(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid

C166H246N21O47PS4 — CID 59141390

About (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid

(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid (PubChem CID 59141390) has the molecular formula C166H246N21O47PS4 and a molecular weight of 3447.14 g/mol. Its IUPAC name is (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid
• PubChem CID: 59141390
• Molecular Formula: C166H246N21O47PS4
• Molecular Weight: 3447.14 g/mol
• Exact Mass: 3444.61
• IUPAC Name: (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid
• SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCCC(=O)CCS(=O)(=O)CCCS(=O)(=O)CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(C)=O)Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)NC(C)C(=O)C[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)C[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)C[C@@H](Cc2ccccc2)C(=O)N1)Cc1c[nH]c2ccccc12)C(N)=O)OC(=O)CCCCCCCCCCCCCCC
• InChI: InChI=1S/C166H246N21O47PS4/c1-6-8-10-12-14-16-18-20-22-24-26-28-33-63-152(207)231-105-124(234-153(208)64-34-29-27-25-23-21-19-17-15-13-11-9-7-2)106-233-235(221,222)232-77-47-51-122(191)69-85-238(223,224)83-48-84-239(225,226)86-70-145(198)170-72-78-228-80-81-229-104-123(192)52-46-76-227-79-82-230-107-149(202)169-71-42-41-59-131(155(168)209)178-148(201)102-175-146(199)100-174-147(200)101-176-161(215)137-60-43-73-185(137)165(219)133(96-151(205)206)180-159(213)117(90-120-98-172-129-57-39-36-54-126(120)129)94-142(195)135-108-236-237-109-136(183-163(217)139-62-45-74-186(139)164(218)132(66-67-144(167)197)179-157(211)115(87-110(3)189)89-119-97-171-128-56-38-35-53-125(119)128)166(220)187-75-44-61-138(187)162(216)177-111(4)140(193)92-114(65-68-150(203)204)156(210)181-134(103-188)141(194)93-118(91-121-99-173-130-58-40-37-55-127(121)130)160(214)184-154(112(5)190)143(196)95-116(158(212)182-135)88-113-49-31-30-32-50-113/h30-32,35-40,49-50,53-58,97-99,111-112,114-118,124,131-139,154,171-173,188,190H,6-29,33-34,41-48,51-52,59-96,100-109H2,1-5H3,(H2,167,197)(H2,168,209)(H,169,202)(H,170,198)(H,174,200)(H,175,199)(H,176,215)(H,177,216)(H,178,201)(H,179,211)(H,180,213)(H,181,210)(H,182,212)(H,183,217)(H,184,214)(H,203,204)(H,205,206)(H,221,222)/t111?,112-,114-,115+,116-,117-,118-,124?,131+,132+,133+,134+,135+,136+,137+,138+,139+,154+/m1/s1
• InChIKey: YFMRKRXYUDNXIC-USWYRLKWSA-N
• XLogP: 10.10
• TPSA: 1020.89 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 46
• Rotatable Bonds: 111
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3447.14
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid?

The IUPAC name of (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid (CID 59141390) is (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid.

What is the SMILES notation for (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid?

The canonical SMILES for (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCCC(=O)CCS(=O)(=O)CCCS(=O)(=O)CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(C)=O)Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)NC(C)C(=O)C[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)C[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)C[C@@H](Cc2ccccc2)C(=O)N1)Cc1c[nH]c2ccccc12)C(N)=O)OC(=O)CCCCCCCCCCCCCCC.

What is the InChIKey of (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid?

The InChIKey is YFMRKRXYUDNXIC-USWYRLKWSA-N. The full InChI is InChI=1S/C166H246N21O47PS4/c1-6-8-10-12-14-16-18-20-22-24-26-28-33-63-152(207)231-105-124(234-153(208)64-34-29-27-25-23-21-19-17-15-13-11-9-7-2)106-233-235(221,222)232-77-47-51-122(191)69-85-238(223,224)83-48-84-239(225,226)86-70-145(198)170-72-78-228-80-81-229-104-123(192)52-46-76-227-79-82-230-107-149(202)169-71-42-41-59-131(155(168)209)178-148(201)102-175-146(199)100-174-147(200)101-176-161(215)137-60-43-73-185(137)165(219)133(96-151(205)206)180-159(213)117(90-120-98-172-129-57-39-36-54-126(120)129)94-142(195)135-108-236-237-109-136(183-163(217)139-62-45-74-186(139)164(218)132(66-67-144(167)197)179-157(211)115(87-110(3)189)89-119-97-171-128-56-38-35-53-125(119)128)166(220)187-75-44-61-138(187)162(216)177-111(4)140(193)92-114(65-68-150(203)204)156(210)181-134(103-188)141(194)93-118(91-121-99-173-130-58-40-37-55-127(121)130)160(214)184-154(112(5)190)143(196)95-116(158(212)182-135)88-113-49-31-30-32-50-113/h30-32,35-40,49-50,53-58,97-99,111-112,114-118,124,131-139,154,171-173,188,190H,6-29,33-34,41-48,51-52,59-96,100-109H2,1-5H3,(H2,167,197)(H2,168,209)(H,169,202)(H,170,198)(H,174,200)(H,175,199)(H,176,215)(H,177,216)(H,178,201)(H,179,211)(H,180,213)(H,181,210)(H,182,212)(H,183,217)(H,184,214)(H,203,204)(H,205,206)(H,221,222)/t111?,112-,114-,115+,116-,117-,118-,124?,131+,132+,133+,134+,135+,136+,137+,138+,139+,154+/m1/s1.

What are the key properties of (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid?

(3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid has a molecular weight of 3447.14 g/mol, XLogP of 10.10, 111 rotatable bonds, 23 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[[2-[2-[5-[2-[2-[3-[3-[6-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-3-oxohexyl]sulfonylpropylsulfonyl]propanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2R)-4-[(3R,8R,11R,14S,17R,20S,23R,26S,29S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-(1H-indol-3-ylmethyl)-4-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-11-benzyl-23-(2-carboxyethyl)-14-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-17-(1H-indol-3-ylmethyl)-26-methyl-2,10,13,16,19,22,25,28-octaoxo-5,6-dithia-1,9,15,21,27-pentazabicyclo[27.3.0]dotriacontan-8-yl]-2-(1H-indol-3-ylmethyl)-4-oxobutanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 59141390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).