(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide

C265H408N28O37S6 — CID 157215913

About (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide

(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 157215913) has the molecular formula C265H408N28O37S6 and a molecular weight of 4770.74 g/mol. Its IUPAC name is (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 157215913
• Molecular Formula: C265H408N28O37S6
• Molecular Weight: 4770.74 g/mol
• Exact Mass: 4766.92
• IUPAC Name: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide
• 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)NC2CCC(C)CC2)cs1.CC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C1CC1)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)C[C@H](C)C(=O)O)cs1.CCCCN1CCCC[C@@H]1C(=O)C[C@H](C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)NC2CCC(C)CC2)cs1)C(C)C)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](CCc1nc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)n1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)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.COC(=O)[C@@H](C)C[C@H](Cc1ccc(C)cc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C2CC2)OC(C)=O)n1
• InChI: InChI=1S/C41H62N4O5.C40H58N4O7S.C39H56N4O7S.C39H60N4O5S.C37H58N4O3S.C36H60N4O5S.C33H54N4O5S/c1-10-29(6)33(25-38(47)36-21-14-15-22-44(36)8)41(49)45(9)37(28(4)5)26-39(50-30(7)46)34-19-16-20-35(43-34)40(48)42-32(23-27(2)3)24-31-17-12-11-13-18-31;1-24(2)34(44(7)39(48)31(29-16-17-29)21-35(46)33-11-9-10-18-43(33)6)22-36(51-27(5)45)38-42-32(23-52-38)37(47)41-30(19-26(4)40(49)50-8)20-28-14-12-25(3)13-15-28;1-23(2)33(43(7)38(47)30(28-15-16-28)20-34(45)32-10-8-9-17-42(32)6)21-35(50-26(5)44)37-41-31(22-51-37)36(46)40-29(18-25(4)39(48)49)19-27-13-11-24(3)12-14-27;1-10-27(6)31(22-35(45)33-18-14-15-19-42(33)8)39(47)43(9)34(26(4)5)23-36(48-28(7)44)38-41-32(24-49-38)37(46)40-30(20-25(2)3)21-29-16-12-11-13-17-29;1-9-27(6)30(23-34(42)33-17-13-14-20-40(33)7)37(44)41(8)32(26(4)5)18-19-35-39-31(24-45-35)36(43)38-29(21-25(2)3)22-28-15-11-10-12-16-28;1-9-10-18-40-19-12-11-13-30(40)32(42)20-28(23(2)3)36(44)39(8)31(24(4)5)21-33(45-26(7)41)35-38-29(22-46-35)34(43)37-27-16-14-25(6)15-17-27;1-20(2)25(17-29(39)27-11-9-10-16-36(27)7)33(41)37(8)28(21(3)4)18-30(42-23(6)38)32-35-26(19-43-32)31(40)34-24-14-12-22(5)13-15-24/h11-13,16-20,27-29,32-33,36-37,39H,10,14-15,21-26H2,1-9H3,(H,42,48);12-15,23-24,26,29-31,33-34,36H,9-11,16-22H2,1-8H3,(H,41,47);11-14,22-23,25,28-30,32-33,35H,8-10,15-21H2,1-7H3,(H,40,46)(H,48,49);11-13,16-17,24-27,30-31,33-34,36H,10,14-15,18-23H2,1-9H3,(H,40,46);10-12,15-16,24-27,29-30,32-33H,9,13-14,17-23H2,1-8H3,(H,38,43);22-25,27-28,30-31,33H,9-21H2,1-8H3,(H,37,43);19-22,24-25,27-28,30H,9-18H2,1-8H3,(H,34,40)/t29-,32+,33-,36+,37+,39+;26-,30+,31-,33+,34+,36+;25-,29+,30-,32+,33+,35+;27-,30+,31-,33+,34+,36+;27-,29+,30-,32+,33+;25?,27?,28-,30+,31+,33+;22?,24?,25-,27+,28+,30+/m0000000/s1
• InChIKey: ASKKXDHUKLHOBY-YAQKUETPSA-N
• XLogP: 45.47
• TPSA: 799.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 56
• Rotatable Bonds: 118
• Heavy Atoms: 336
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4770.74
LogP ≤ 5	45.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide (CID 157215913) is (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide 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)NC2CCC(C)CC2)cs1.CC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C1CC1)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)C[C@H](C)C(=O)O)cs1.CCCCN1CCCC[C@@H]1C(=O)C[C@H](C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)NC2CCC(C)CC2)cs1)C(C)C)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](CCc1nc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)CC(C)C)n1)C(C)C.CC[C@H](C)[C@H](CC(=O)[C@H]1CCCCN1C)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.COC(=O)[C@@H](C)C[C@H](Cc1ccc(C)cc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C2CC2)OC(C)=O)n1.

What is the InChIKey of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is ASKKXDHUKLHOBY-YAQKUETPSA-N. The full InChI is InChI=1S/C41H62N4O5.C40H58N4O7S.C39H56N4O7S.C39H60N4O5S.C37H58N4O3S.C36H60N4O5S.C33H54N4O5S/c1-10-29(6)33(25-38(47)36-21-14-15-22-44(36)8)41(49)45(9)37(28(4)5)26-39(50-30(7)46)34-19-16-20-35(43-34)40(48)42-32(23-27(2)3)24-31-17-12-11-13-18-31;1-24(2)34(44(7)39(48)31(29-16-17-29)21-35(46)33-11-9-10-18-43(33)6)22-36(51-27(5)45)38-42-32(23-52-38)37(47)41-30(19-26(4)40(49)50-8)20-28-14-12-25(3)13-15-28;1-23(2)33(43(7)38(47)30(28-15-16-28)20-34(45)32-10-8-9-17-42(32)6)21-35(50-26(5)44)37-41-31(22-51-37)36(46)40-29(18-25(4)39(48)49)19-27-13-11-24(3)12-14-27;1-10-27(6)31(22-35(45)33-18-14-15-19-42(33)8)39(47)43(9)34(26(4)5)23-36(48-28(7)44)38-41-32(24-49-38)37(46)40-30(20-25(2)3)21-29-16-12-11-13-17-29;1-9-27(6)30(23-34(42)33-17-13-14-20-40(33)7)37(44)41(8)32(26(4)5)18-19-35-39-31(24-45-35)36(43)38-29(21-25(2)3)22-28-15-11-10-12-16-28;1-9-10-18-40-19-12-11-13-30(40)32(42)20-28(23(2)3)36(44)39(8)31(24(4)5)21-33(45-26(7)41)35-38-29(22-46-35)34(43)37-27-16-14-25(6)15-17-27;1-20(2)25(17-29(39)27-11-9-10-16-36(27)7)33(41)37(8)28(21(3)4)18-30(42-23(6)38)32-35-26(19-43-32)31(40)34-24-14-12-22(5)13-15-24/h11-13,16-20,27-29,32-33,36-37,39H,10,14-15,21-26H2,1-9H3,(H,42,48);12-15,23-24,26,29-31,33-34,36H,9-11,16-22H2,1-8H3,(H,41,47);11-14,22-23,25,28-30,32-33,35H,8-10,15-21H2,1-7H3,(H,40,46)(H,48,49);11-13,16-17,24-27,30-31,33-34,36H,10,14-15,18-23H2,1-9H3,(H,40,46);10-12,15-16,24-27,29-30,32-33H,9,13-14,17-23H2,1-8H3,(H,38,43);22-25,27-28,30-31,33H,9-21H2,1-8H3,(H,37,43);19-22,24-25,27-28,30H,9-18H2,1-8H3,(H,34,40)/t29-,32+,33-,36+,37+,39+;26-,30+,31-,33+,34+,36+;25-,29+,30-,32+,33+,35+;27-,30+,31-,33+,34+,36+;27-,29+,30-,32+,33+;25?,27?,28-,30+,31+,33+;22?,24?,25-,27+,28+,30+/m0000000/s1.

What are the key properties of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide?

(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 4770.74 g/mol, XLogP of 45.47, 118 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-3-[[(2S)-4-[(2R)-1-butylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]-methylamino]-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;methyl (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S)-2-cyclopropyl-4-[(2R)-1-methylpiperidin-2-yl]-4-oxobutanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoate;[(1R,3R)-4-methyl-1-[4-[(4-methylcyclohexyl)carbamoyl]-1,3-thiazol-2-yl]-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]pentyl] acetate;[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-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-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate;2-[(3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157215913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).