[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate

C265H403N27O58S8 — CID 159285572

About [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate

[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate (PubChem CID 159285572) has the molecular formula C265H403N27O58S8 and a molecular weight of 5151.81 g/mol. Its IUPAC name is [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate.

Molecular Properties

• Compound Name: [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate
• PubChem CID: 159285572
• Molecular Formula: C265H403N27O58S8
• Molecular Weight: 5151.81 g/mol
• Exact Mass: 5147.72
• IUPAC Name: [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate
• SMILES: CCC(C)[C@H](CC(=O)C(C)(C)N(C)C)C(=O)N(CCCCC(=O)C(C)CC(=O)C(CCCCNC(=O)CCOCCO)CC(=O)CCCN1C(=O)CC(SC)C1=O)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)CC(C)OC=O)cs1)C(C)C.CCC(C)[C@H](CC(=O)C(C)(C)N(C)C)C(=O)N(CCCNC(=O)C(C)CC(=O)C(CCCCCC(=O)CCOCCO)CC(=O)CCCN1C(=O)CC(SC)C1=O)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccn2)CC(C)OC=O)cs1)C(C)C.CCC(C)[C@H](CC(=O)C(C)(C)N(C)C)C(=O)N(Cc1ccc(NC(=O)C(C)CC(=O)C(CCCCNC(=O)COCCOC)CC(=O)CSC)cc1)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)CC(C)OC=O)cs1)C(C)C.CCC(C)[C@H](CC(=O)C(C)(C)N(C)C)C(=O)N(Cc1ccc(NC(=O)C(C)NC(=O)C(CCCCNC(=O)CCOCCO)CC(=O)CCCN2C(=O)CC(SC)C2=O)cc1)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)CC(C)OC=O)cs1)C(C)C
• InChI: InChI=1S/C69H102N8O15S2.C67H104N6O15S2.C65H101N7O15S2.C64H96N6O13S2/c1-14-45(5)55(37-60(82)69(9,10)75(11)12)67(88)77(57(43(2)3)38-58(92-48(8)80)66-74-56(41-94-66)65(87)73-53(34-46(6)91-42-79)35-49-22-20-44(4)21-23-49)40-50-24-26-52(27-25-50)72-63(85)47(7)71-64(86)51(18-15-16-29-70-61(83)28-32-90-33-31-78)36-54(81)19-17-30-76-62(84)39-59(93-13)68(76)89;1-14-45(5)53(38-60(80)67(9,10)71(11)12)65(84)72(55(43(2)3)39-58(88-48(8)76)64-70-54(41-90-64)63(83)69-51(35-47(7)87-42-75)36-49-25-23-44(4)24-26-49)29-18-16-22-56(78)46(6)34-57(79)50(20-15-17-28-68-61(81)27-32-86-33-31-74)37-52(77)21-19-30-73-62(82)40-59(89-13)66(73)85;1-13-43(4)52(37-58(79)65(8,9)70(10)11)63(83)71(54(42(2)3)38-56(87-46(7)75)62-69-53(40-89-62)61(82)68-49(34-45(6)86-41-74)36-48-22-17-18-26-66-48)29-20-27-67-60(81)44(5)33-55(78)47(21-15-14-16-23-50(76)25-31-85-32-30-73)35-51(77)24-19-28-72-59(80)39-57(88-12)64(72)84;1-15-43(5)53(34-58(75)64(9,10)69(11)12)63(79)70(55(41(2)3)35-57(83-46(8)72)62-68-54(39-85-62)61(78)67-51(31-45(7)82-40-71)32-47-21-19-42(4)20-22-47)36-48-23-25-50(26-24-48)66-60(77)44(6)30-56(74)49(33-52(73)38-84-14)18-16-17-27-65-59(76)37-81-29-28-80-13/h20-27,41-43,45-47,51,53,55,57-59,78H,14-19,28-40H2,1-13H3,(H,70,83)(H,71,86)(H,72,85)(H,73,87);23-26,41-43,45-47,50-51,53,55,58-59,74H,14-22,27-40H2,1-13H3,(H,68,81)(H,69,83);17-18,22,26,40-45,47,49,52,54,56-57,73H,13-16,19-21,23-25,27-39H2,1-12H3,(H,67,81)(H,68,82);19-26,39-41,43-45,49,51,53,55,57H,15-18,27-38H2,1-14H3,(H,65,76)(H,66,77)(H,67,78)/t45?,46?,47?,51?,53-,55+,57-,58-,59?;45?,46?,47?,50?,51-,53+,55-,58-,59?;43?,44?,45?,47?,49-,52+,54-,56-,57?;43?,44?,45?,49?,51-,53+,55-,57-/m1111/s1
• InChIKey: KZLUTJPGXNVVJM-SZPUSJSMSA-N
• XLogP: 32.83
• TPSA: 1130.04 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 75
• Rotatable Bonds: 180
• Heavy Atoms: 358
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5151.81
LogP ≤ 5	32.83
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate?

The IUPAC name of [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate (CID 159285572) is [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate.

What is the SMILES notation for [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate?

The canonical SMILES for [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate is CCC(C)[C@H](CC(=O)C(C)(C)N(C)C)C(=O)N(CCCCC(=O)C(C)CC(=O)C(CCCCNC(=O)CCOCCO)CC(=O)CCCN1C(=O)CC(SC)C1=O)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)CC(C)OC=O)cs1)C(C)C.CCC(C)[C@H](CC(=O)C(C)(C)N(C)C)C(=O)N(CCCNC(=O)C(C)CC(=O)C(CCCCCC(=O)CCOCCO)CC(=O)CCCN1C(=O)CC(SC)C1=O)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccn2)CC(C)OC=O)cs1)C(C)C.CCC(C)[C@H](CC(=O)C(C)(C)N(C)C)C(=O)N(Cc1ccc(NC(=O)C(C)CC(=O)C(CCCCNC(=O)COCCOC)CC(=O)CSC)cc1)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)CC(C)OC=O)cs1)C(C)C.CCC(C)[C@H](CC(=O)C(C)(C)N(C)C)C(=O)N(Cc1ccc(NC(=O)C(C)NC(=O)C(CCCCNC(=O)CCOCCO)CC(=O)CCCN2C(=O)CC(SC)C2=O)cc1)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)CC(C)OC=O)cs1)C(C)C.

What is the InChIKey of [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate?

The InChIKey is KZLUTJPGXNVVJM-SZPUSJSMSA-N. The full InChI is InChI=1S/C69H102N8O15S2.C67H104N6O15S2.C65H101N7O15S2.C64H96N6O13S2/c1-14-45(5)55(37-60(82)69(9,10)75(11)12)67(88)77(57(43(2)3)38-58(92-48(8)80)66-74-56(41-94-66)65(87)73-53(34-46(6)91-42-79)35-49-22-20-44(4)21-23-49)40-50-24-26-52(27-25-50)72-63(85)47(7)71-64(86)51(18-15-16-29-70-61(83)28-32-90-33-31-78)36-54(81)19-17-30-76-62(84)39-59(93-13)68(76)89;1-14-45(5)53(38-60(80)67(9,10)71(11)12)65(84)72(55(43(2)3)39-58(88-48(8)76)64-70-54(41-90-64)63(83)69-51(35-47(7)87-42-75)36-49-25-23-44(4)24-26-49)29-18-16-22-56(78)46(6)34-57(79)50(20-15-17-28-68-61(81)27-32-86-33-31-74)37-52(77)21-19-30-73-62(82)40-59(89-13)66(73)85;1-13-43(4)52(37-58(79)65(8,9)70(10)11)63(83)71(54(42(2)3)38-56(87-46(7)75)62-69-53(40-89-62)61(82)68-49(34-45(6)86-41-74)36-48-22-17-18-26-66-48)29-20-27-67-60(81)44(5)33-55(78)47(21-15-14-16-23-50(76)25-31-85-32-30-73)35-51(77)24-19-28-72-59(80)39-57(88-12)64(72)84;1-15-43(5)53(34-58(75)64(9,10)69(11)12)63(79)70(55(41(2)3)35-57(83-46(8)72)62-68-54(39-85-62)61(78)67-51(31-45(7)82-40-71)32-47-21-19-42(4)20-22-47)36-48-23-25-50(26-24-48)66-60(77)44(6)30-56(74)49(33-52(73)38-84-14)18-16-17-27-65-59(76)37-81-29-28-80-13/h20-27,41-43,45-47,51,53,55,57-59,78H,14-19,28-40H2,1-13H3,(H,70,83)(H,71,86)(H,72,85)(H,73,87);23-26,41-43,45-47,50-51,53,55,58-59,74H,14-22,27-40H2,1-13H3,(H,68,81)(H,69,83);17-18,22,26,40-45,47,49,52,54,56-57,73H,13-16,19-21,23-25,27-39H2,1-12H3,(H,67,81)(H,68,82);19-26,39-41,43-45,49,51,53,55,57H,15-18,27-38H2,1-14H3,(H,65,76)(H,66,77)(H,67,78)/t45?,46?,47?,51?,53-,55+,57-,58-,59?;45?,46?,47?,50?,51-,53+,55-,58-,59?;43?,44?,45?,47?,49-,52+,54-,56-,57?;43?,44?,45?,49?,51-,53+,55-,57-/m1111/s1.

What are the key properties of [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate?

[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate has a molecular weight of 5151.81 g/mol, XLogP of 32.83, 180 rotatable bonds, 14 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[3-[[13-(2-hydroxyethoxy)-2-methyl-5-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]-4,11-dioxotridecanoyl]amino]propyl]amino]-1-[4-[[(2S)-4-formyloxy-1-pyridin-2-ylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[9-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-6-methyl-14-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5,8,11-trioxotetradecyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[2-[[2-[4-[3-(2-hydroxyethoxy)propanoylamino]butyl]-7-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxoheptanoyl]amino]propanoylamino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate;[(1R,3R)-3-[[(2S)-2-butan-2-yl-5-(dimethylamino)-5-methyl-4-oxohexanoyl]-[[4-[[9-[[2-(2-methoxyethoxy)acetyl]amino]-2-methyl-5-(3-methylsulfanyl-2-oxopropyl)-4-oxononanoyl]amino]phenyl]methyl]amino]-1-[4-[[(2S)-4-formyloxy-1-(4-methylphenyl)pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate is sourced from PubChem (CID 159285572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).