(2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate

C178H263N23O33S3 — CID 158857491

About (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate

(2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate (PubChem CID 158857491) has the molecular formula C178H263N23O33S3 and a molecular weight of 3349.39 g/mol. Its IUPAC name is (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate.

Molecular Properties

• Compound Name: (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate
• PubChem CID: 158857491
• Molecular Formula: C178H263N23O33S3
• Molecular Weight: 3349.39 g/mol
• Exact Mass: 3346.88
• IUPAC Name: (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate
• SMILES: CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)CCCC(=O)CCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)cc2)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)CCCC(=O)CCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)cc2)C(=O)OC)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN)cc2)C(=O)O)cs1
• InChI: InChI=1S/C60H83N9O9S.C59H81N9O9S.C59H99N5O15S/c1-9-28-69(58(74)46(39(6)11-3)33-51(72)49-17-12-13-29-68(49)7)50(38(4)5)34-52(77-30-10-2)57-65-48(36-79-57)55(73)64-47(59(75)76-8)32-42-22-20-41(21-23-42)31-45(71)16-14-15-44(70)27-26-40-18-24-43(25-19-40)35-78-56-53-54(63-37-62-53)66-60(61)67-56;1-8-27-68(57(73)45(38(6)10-3)32-50(71)48-16-11-12-28-67(48)7)49(37(4)5)33-51(76-29-9-2)56-64-47(35-78-56)54(72)63-46(58(74)75)31-41-21-19-40(20-22-41)30-44(70)15-13-14-43(69)26-25-39-17-23-42(24-18-39)34-77-55-52-53(62-36-61-52)65-59(60)66-55;1-8-20-64(58(68)49(45(6)10-3)41-54(66)52-13-11-12-21-63(52)7)53(44(4)5)42-55(79-22-9-2)57-62-51(43-80-57)56(67)61-50(59(69)70)40-47-16-14-46(15-17-47)39-48(65)18-23-71-25-27-73-29-31-75-33-35-77-37-38-78-36-34-76-32-30-74-28-26-72-24-19-60/h18-25,36-39,46-47,49-50,52H,9-17,26-35H2,1-8H3,(H,64,73)(H3,61,62,63,66,67);17-24,35-38,45-46,48-49,51H,8-16,25-34H2,1-7H3,(H,63,72)(H,74,75)(H3,60,61,62,65,66);14-17,43-45,49-50,52-53,55H,8-13,18-42,60H2,1-7H3,(H,61,67)(H,69,70)/t39-,46-,47-,49+,50+,52+;38-,45-,46-,48+,49+,51+;45-,49-,50-,52+,53+,55+/m000/s1
• InChIKey: JAFVUPHDWLMXHA-QJIHKNGOSA-N
• XLogP: 24.69
• TPSA: 741.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 49
• Rotatable Bonds: 115
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3349.39
LogP ≤ 5	24.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate?

The IUPAC name of (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate (CID 158857491) is (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate.

What is the SMILES notation for (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate?

The canonical SMILES for (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate is CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)CCCC(=O)CCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)cc2)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)CCCC(=O)CCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)cc2)C(=O)OC)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(CC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN)cc2)C(=O)O)cs1.

What is the InChIKey of (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate?

The InChIKey is JAFVUPHDWLMXHA-QJIHKNGOSA-N. The full InChI is InChI=1S/C60H83N9O9S.C59H81N9O9S.C59H99N5O15S/c1-9-28-69(58(74)46(39(6)11-3)33-51(72)49-17-12-13-29-68(49)7)50(38(4)5)34-52(77-30-10-2)57-65-48(36-79-57)55(73)64-47(59(75)76-8)32-42-22-20-41(21-23-42)31-45(71)16-14-15-44(70)27-26-40-18-24-43(25-19-40)35-78-56-53-54(63-37-62-53)66-60(61)67-56;1-8-27-68(57(73)45(38(6)10-3)32-50(71)48-16-11-12-28-67(48)7)49(37(4)5)33-51(76-29-9-2)56-64-47(35-78-56)54(72)63-46(58(74)75)31-41-21-19-40(20-22-41)30-44(70)15-13-14-43(69)26-25-39-17-23-42(24-18-39)34-77-55-52-53(62-36-61-52)65-59(60)66-55;1-8-20-64(58(68)49(45(6)10-3)41-54(66)52-13-11-12-21-63(52)7)53(44(4)5)42-55(79-22-9-2)57-62-51(43-80-57)56(67)61-50(59(69)70)40-47-16-14-46(15-17-47)39-48(65)18-23-71-25-27-73-29-31-75-33-35-77-37-38-78-36-34-76-32-30-74-28-26-72-24-19-60/h18-25,36-39,46-47,49-50,52H,9-17,26-35H2,1-8H3,(H,64,73)(H3,61,62,63,66,67);17-24,35-38,45-46,48-49,51H,8-16,25-34H2,1-7H3,(H,63,72)(H,74,75)(H3,60,61,62,65,66);14-17,43-45,49-50,52-53,55H,8-13,18-42,60H2,1-7H3,(H,61,67)(H,69,70)/t39-,46-,47-,49+,50+,52+;38-,45-,46-,48+,49+,51+;45-,49-,50-,52+,53+,55+/m000/s1.

What are the key properties of (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate?

(2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate has a molecular weight of 3349.39 g/mol, XLogP of 24.69, 115 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-oxobutyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;(2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid;methyl (2S)-3-[4-[8-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-2,6-dioxooctyl]phenyl]-2-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 158857491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).