(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate

C232H331N27O34S5 — CID 162172745

About (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate

(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate (PubChem CID 162172745) has the molecular formula C232H331N27O34S5 and a molecular weight of 4202.69 g/mol. Its IUPAC name is (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate.

Molecular Properties

• Compound Name: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate
• PubChem CID: 162172745
• Molecular Formula: C232H331N27O34S5
• Molecular Weight: 4202.69 g/mol
• Exact Mass: 4199.36
• IUPAC Name: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate
• SMILES: CC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)C)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)C[C@H](C)C(=O)O)cs1.CC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)C)c1nc(C(=O)N[C@@H](Cc2cn(C)c3ccccc23)C[C@H](C)C(=O)O)cs1.CC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C1CC1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)n1.CC[C@H](C)[C@H](CC(=O)c1cccn1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)c1cnccn1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)c1ncccn1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)cs1)C(C)C
• InChI: InChI=1S/C41H59N5O7S.C40H58N4O5.C39H58N4O7S.C38H54N4O5S.2C37H51N5O5S/c1-24(2)31(20-36(48)34-16-12-13-17-44(34)7)40(50)46(9)35(25(3)4)21-37(53-27(6)47)39-43-32(23-54-39)38(49)42-29(18-26(5)41(51)52)19-28-22-45(8)33-15-11-10-14-30(28)33;1-26(2)22-31(23-29-14-9-8-10-15-29)41-39(47)34-17-13-16-33(42-34)38(49-28(5)45)25-36(27(3)4)44(7)40(48)32(30-19-20-30)24-37(46)35-18-11-12-21-43(35)6;1-23(2)30(20-34(45)32-12-10-11-17-42(32)8)38(47)43(9)33(24(3)4)21-35(50-27(7)44)37-41-31(22-51-37)36(46)40-29(18-26(6)39(48)49)19-28-15-13-25(5)14-16-28;1-10-26(6)30(21-34(44)32-17-14-18-41(32)8)38(46)42(9)33(25(4)5)22-35(47-27(7)43)37-40-31(23-48-37)36(45)39-29(19-24(2)3)20-28-15-12-11-13-16-28;1-9-25(6)29(20-32(44)34-38-16-13-17-39-34)37(46)42(8)31(24(4)5)21-33(47-26(7)43)36-41-30(22-48-36)35(45)40-28(18-23(2)3)19-27-14-11-10-12-15-27;1-9-25(6)29(19-33(44)30-21-38-15-16-39-30)37(46)42(8)32(24(4)5)20-34(47-26(7)43)36-41-31(22-48-36)35(45)40-28(17-23(2)3)18-27-13-11-10-12-14-27/h10-11,14-15,22-26,29,31,34-35,37H,12-13,16-21H2,1-9H3,(H,42,49)(H,51,52);8-10,13-17,26-27,30-32,35-36,38H,11-12,18-25H2,1-7H3,(H,41,47);13-16,22-24,26,29-30,32-33,35H,10-12,17-21H2,1-9H3,(H,40,46)(H,48,49);11-18,23-26,29-30,33,35H,10,19-22H2,1-9H3,(H,39,45);10-17,22-25,28-29,31,33H,9,18-21H2,1-8H3,(H,40,45);10-16,21-25,28-29,32,34H,9,17-20H2,1-8H3,(H,40,45)/t26-,29+,31-,34+,35+,37+;31-,32+,35-,36-,38-;26-,29+,30-,32+,33+,35+;26-,29+,30-,33+,35+;25-,28+,29-,31+,33+;25-,28+,29-,32+,34+/m010000/s1
• InChIKey: ZNZSBDZLLZDQQD-PSDPVMKYSA-N
• XLogP: 39.54
• TPSA: 779.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 52
• Rotatable Bonds: 107
• Heavy Atoms: 298
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4202.69
LogP ≤ 5	39.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate?

The IUPAC name of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate (CID 162172745) is (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate.

What is the SMILES notation for (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate?

The canonical SMILES for (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate is CC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)C)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)C[C@H](C)C(=O)O)cs1.CC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)C)c1nc(C(=O)N[C@@H](Cc2cn(C)c3ccccc23)C[C@H](C)C(=O)O)cs1.CC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C1CC1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)n1.CC[C@H](C)[C@H](CC(=O)c1cccn1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)c1cnccn1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)c1ncccn1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)cs1)C(C)C.

What is the InChIKey of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate?

The InChIKey is ZNZSBDZLLZDQQD-PSDPVMKYSA-N. The full InChI is InChI=1S/C41H59N5O7S.C40H58N4O5.C39H58N4O7S.C38H54N4O5S.2C37H51N5O5S/c1-24(2)31(20-36(48)34-16-12-13-17-44(34)7)40(50)46(9)35(25(3)4)21-37(53-27(6)47)39-43-32(23-54-39)38(49)42-29(18-26(5)41(51)52)19-28-22-45(8)33-15-11-10-14-30(28)33;1-26(2)22-31(23-29-14-9-8-10-15-29)41-39(47)34-17-13-16-33(42-34)38(49-28(5)45)25-36(27(3)4)44(7)40(48)32(30-19-20-30)24-37(46)35-18-11-12-21-43(35)6;1-23(2)30(20-34(45)32-12-10-11-17-42(32)8)38(47)43(9)33(24(3)4)21-35(50-27(7)44)37-41-31(22-51-37)36(46)40-29(18-26(6)39(48)49)19-28-15-13-25(5)14-16-28;1-10-26(6)30(21-34(44)32-17-14-18-41(32)8)38(46)42(9)33(25(4)5)22-35(47-27(7)43)37-40-31(23-48-37)36(45)39-29(19-24(2)3)20-28-15-12-11-13-16-28;1-9-25(6)29(20-32(44)34-38-16-13-17-39-34)37(46)42(8)31(24(4)5)21-33(47-26(7)43)36-41-30(22-48-36)35(45)40-28(18-23(2)3)19-27-14-11-10-12-15-27;1-9-25(6)29(19-33(44)30-21-38-15-16-39-30)37(46)42(8)32(24(4)5)20-34(47-26(7)43)36-41-31(22-48-36)35(45)40-28(17-23(2)3)18-27-13-11-10-12-14-27/h10-11,14-15,22-26,29,31,34-35,37H,12-13,16-21H2,1-9H3,(H,42,49)(H,51,52);8-10,13-17,26-27,30-32,35-36,38H,11-12,18-25H2,1-7H3,(H,41,47);13-16,22-24,26,29-30,32-33,35H,10-12,17-21H2,1-9H3,(H,40,46)(H,48,49);11-18,23-26,29-30,33,35H,10,19-22H2,1-9H3,(H,39,45);10-17,22-25,28-29,31,33H,9,18-21H2,1-8H3,(H,40,45);10-16,21-25,28-29,32,34H,9,17-20H2,1-8H3,(H,40,45)/t26-,29+,31-,34+,35+,37+;31-,32+,35-,36-,38-;26-,29+,30-,32+,33+,35+;26-,29+,30-,33+,35+;25-,28+,29-,31+,33+;25-,28+,29-,32+,34+/m010000/s1.

What are the key properties of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate?

(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate has a molecular weight of 4202.69 g/mol, XLogP of 39.54, 107 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(1-methylindol-3-yl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methyl-1-[6-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-2-pyridinyl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-(2-oxo-2-pyrimidin-2-ylethyl)pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate is sourced from PubChem (CID 162172745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).