(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate

C200H297N21O35S6 — CID 159676756

IUPAC(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate
SMILESCCCC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)C1(C)CCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)C[C@H](C)C(=O)O)cs1.CCCC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)C12CC(CN1C)C2)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)C[C@H](C)C(=O)O)cs1.CC[C@H](C)[C@H](CC(=O)C1(C)CCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)C12CC(CN1C)C2)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)C12CCCC(CCC1)N2C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@H](CNS(C)(=O)=O)Cc2ccccc2)cs1)C(C)C
InChIInChI=1S/C42H62N4O7S.C41H62N4O7S.C40H61N5O7S2.C39H56N4O7S.C38H56N4O7S/c1-10-12-37(48)53-35(39-44-33(24-54-39)38(49)43-31(17-28(7)41(51)52)18-29-15-13-26(5)14-16-29)20-34(25(3)4)46(9)40(50)32(27(6)11-2)19-36(47)42-21-30(22-42)23-45(42)8;1-11-13-36(47)52-34(23-33(25(3)4)45(10)39(49)31(27(6)12-2)22-35(46)41(8)18-19-44(41)9)38-43-32(24-53-38)37(48)42-30(20-28(7)40(50)51)21-29-16-14-26(5)15-17-29;1-9-27(4)32(22-36(47)40-19-13-17-31(45(40)7)18-14-20-40)39(49)44(6)34(26(2)3)23-35(52-28(5)46)38-43-33(25-53-38)37(48)42-30(24-41-54(8,50)51)21-29-15-11-10-12-16-29;1-9-24(4)30(17-34(45)39-19-28(20-39)21-42(39)7)37(47)43(8)32(23(2)3)18-33(50-26(6)44)36-41-31(22-51-36)35(46)40-29(15-25(5)38(48)49)16-27-13-11-10-12-14-27;1-10-24(4)29(20-33(44)38(7)16-17-41(38)8)36(46)42(9)31(23(2)3)21-32(49-26(6)43)35-40-30(22-50-35)34(45)39-28(18-25(5)37(47)48)19-27-14-12-11-13-15-27/h13-16,24-25,27-28,30-32,34-35H,10-12,17-23H2,1-9H3,(H,43,49)(H,51,52);14-17,24-25,27-28,30-31,33-34H,11-13,18-23H2,1-10H3,(H,42,48)(H,50,51);10-12,15-16,25-27,30-32,34-35,41H,9,13-14,17-24H2,1-8H3,(H,42,48);10-14,22-25,28-30,32-33H,9,15-21H2,1-8H3,(H,40,46)(H,48,49);11-15,22-25,28-29,31-32H,10,16-21H2,1-9H3,(H,39,45)(H,47,48)/t27-,28-,30?,31+,32-,34+,35+,42?;27-,28-,30+,31-,33+,34+,41?;27-,30-,31?,32-,34+,35+,40?;24-,25-,28?,29+,30-,32+,33+,39?;24-,25-,28+,29-,31+,32+,38?/m00000/s1
InChIKeyMURQYFDBLQCXKG-MAHFGZQDSA-N
MW3748.09 g/mol
LogP30.87
Rot. Bonds99

About (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate

(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate (PubChem CID 159676756) has the molecular formula C200H297N21O35S6 and a molecular weight of 3748.09 g/mol. Its IUPAC name is (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate.

Molecular Properties

Compound Name(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate
PubChem CID159676756
Molecular FormulaC200H297N21O35S6
Molecular Weight3748.09 g/mol
Exact Mass3745.04
IUPAC Name(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate
SMILESCCCC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)C1(C)CCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)C[C@H](C)C(=O)O)cs1.CCCC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)C12CC(CN1C)C2)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)C[C@H](C)C(=O)O)cs1.CC[C@H](C)[C@H](CC(=O)C1(C)CCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)C12CC(CN1C)C2)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)C12CCCC(CCC1)N2C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@H](CNS(C)(=O)=O)Cc2ccccc2)cs1)C(C)C
InChIInChI=1S/C42H62N4O7S.C41H62N4O7S.C40H61N5O7S2.C39H56N4O7S.C38H56N4O7S/c1-10-12-37(48)53-35(39-44-33(24-54-39)38(49)43-31(17-28(7)41(51)52)18-29-15-13-26(5)14-16-29)20-34(25(3)4)46(9)40(50)32(27(6)11-2)19-36(47)42-21-30(22-42)23-45(42)8;1-11-13-36(47)52-34(23-33(25(3)4)45(10)39(49)31(27(6)12-2)22-35(46)41(8)18-19-44(41)9)38-43-32(24-53-38)37(48)42-30(20-28(7)40(50)51)21-29-16-14-26(5)15-17-29;1-9-27(4)32(22-36(47)40-19-13-17-31(45(40)7)18-14-20-40)39(49)44(6)34(26(2)3)23-35(52-28(5)46)38-43-33(25-53-38)37(48)42-30(24-41-54(8,50)51)21-29-15-11-10-12-16-29;1-9-24(4)30(17-34(45)39-19-28(20-39)21-42(39)7)37(47)43(8)32(23(2)3)18-33(50-26(6)44)36-41-31(22-51-36)35(46)40-29(15-25(5)38(48)49)16-27-13-11-10-12-14-27;1-10-24(4)29(20-33(44)38(7)16-17-41(38)8)36(46)42(9)31(23(2)3)21-32(49-26(6)43)35-40-30(22-50-35)34(45)39-28(18-25(5)37(47)48)19-27-14-12-11-13-15-27/h13-16,24-25,27-28,30-32,34-35H,10-12,17-23H2,1-9H3,(H,43,49)(H,51,52);14-17,24-25,27-28,30-31,33-34H,11-13,18-23H2,1-10H3,(H,42,48)(H,50,51);10-12,15-16,25-27,30-32,34-35,41H,9,13-14,17-24H2,1-8H3,(H,42,48);10-14,22-25,28-30,32-33H,9,15-21H2,1-8H3,(H,40,46)(H,48,49);11-15,22-25,28-29,31-32H,10,16-21H2,1-9H3,(H,39,45)(H,47,48)/t27-,28-,30?,31+,32-,34+,35+,42?;27-,28-,30+,31-,33+,34+,41?;27-,30-,31?,32-,34+,35+,40?;24-,25-,28?,29+,30-,32+,33+,39?;24-,25-,28+,29-,31+,32+,38?/m00000/s1
InChIKeyMURQYFDBLQCXKG-MAHFGZQDSA-N
XLogP30.87
TPSA739.92 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds99
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003748.09
LogP ≤ 530.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid
CID 159676759
(2S,4R)-4-[[2-[(1R)-1-acetyloxy-4-methyl-3-[methyl-[(2S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 158927688
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carboxylic acid
CID 157452068
4-[[2-[1-butanoyloxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 169493684
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[(2R)-1-azabicyclo[2.2.2]octane-2-carbonyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 134133046
4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 172790895
(2S,4R)-4-[[2-[(1S,3S)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 138456077
[(1R,3R)-3-[[(2S,3S)-2-[[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]-methylamino]-1-[4-[[(2R,4S)-5-hydrazinyl-4-methyl-5-oxo-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methylpentyl] acetate
CID 155014310
[4-methyl-3-[methyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-1-[4-[(4-methyl-1-phenylpentan-2-yl)carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate
CID 161155097
(2S,4R)-2-methyl-4-[[2-[(1R,3R)-4-methyl-1-(3-methylbutanoyloxy)-3-[methyl-[(2S,3S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic acid
CID 130364552
4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 118949477
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(3S)-2-amino-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 118447359

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate?
The IUPAC name of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate (CID 159676756) is (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate.
What is the SMILES notation for (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate?
The canonical SMILES for (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate is CCCC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)C1(C)CCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)C[C@H](C)C(=O)O)cs1.CCCC(=O)O[C@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)C12CC(CN1C)C2)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(C)cc2)C[C@H](C)C(=O)O)cs1.CC[C@H](C)[C@H](CC(=O)C1(C)CCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)C12CC(CN1C)C2)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C.CC[C@H](C)[C@H](CC(=O)C12CCCC(CCC1)N2C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@H](CNS(C)(=O)=O)Cc2ccccc2)cs1)C(C)C.
What is the InChIKey of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate?
The InChIKey is MURQYFDBLQCXKG-MAHFGZQDSA-N. The full InChI is InChI=1S/C42H62N4O7S.C41H62N4O7S.C40H61N5O7S2.C39H56N4O7S.C38H56N4O7S/c1-10-12-37(48)53-35(39-44-33(24-54-39)38(49)43-31(17-28(7)41(51)52)18-29-15-13-26(5)14-16-29)20-34(25(3)4)46(9)40(50)32(27(6)11-2)19-36(47)42-21-30(22-42)23-45(42)8;1-11-13-36(47)52-34(23-33(25(3)4)45(10)39(49)31(27(6)12-2)22-35(46)41(8)18-19-44(41)9)38-43-32(24-53-38)37(48)42-30(20-28(7)40(50)51)21-29-16-14-26(5)15-17-29;1-9-27(4)32(22-36(47)40-19-13-17-31(45(40)7)18-14-20-40)39(49)44(6)34(26(2)3)23-35(52-28(5)46)38-43-33(25-53-38)37(48)42-30(24-41-54(8,50)51)21-29-15-11-10-12-16-29;1-9-24(4)30(17-34(45)39-19-28(20-39)21-42(39)7)37(47)43(8)32(23(2)3)18-33(50-26(6)44)36-41-31(22-51-36)35(46)40-29(15-25(5)38(48)49)16-27-13-11-10-12-14-27;1-10-24(4)29(20-33(44)38(7)16-17-41(38)8)36(46)42(9)31(23(2)3)21-32(49-26(6)43)35-40-30(22-50-35)34(45)39-28(18-25(5)37(47)48)19-27-14-12-11-13-15-27/h13-16,24-25,27-28,30-32,34-35H,10-12,17-23H2,1-9H3,(H,43,49)(H,51,52);14-17,24-25,27-28,30-31,33-34H,11-13,18-23H2,1-10H3,(H,42,48)(H,50,51);10-12,15-16,25-27,30-32,34-35,41H,9,13-14,17-24H2,1-8H3,(H,42,48);10-14,22-25,28-30,32-33H,9,15-21H2,1-8H3,(H,40,46)(H,48,49);11-15,22-25,28-29,31-32H,10,16-21H2,1-9H3,(H,39,45)(H,47,48)/t27-,28-,30?,31+,32-,34+,35+,42?;27-,28-,30+,31-,33+,34+,41?;27-,30-,31?,32-,34+,35+,40?;24-,25-,28?,29+,30-,32+,33+,39?;24-,25-,28+,29-,31+,32+,38?/m00000/s1.
What are the key properties of (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate?
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate has a molecular weight of 3748.09 g/mol, XLogP of 30.87, 99 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-3-[[(2S,3S)-2-[2-(1,2-dimethylazetidin-2-yl)-2-oxoethyl]-3-methylpentanoyl]-methylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;(2S,4R)-4-[[2-[(1R,3R)-1-butanoyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-methylphenyl)pentanoic acid;[(1R,3R)-1-[4-[[(2S)-1-(methanesulfonamido)-3-phenylpropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-(9-methyl-9-azabicyclo[3.3.1]nonan-1-yl)-2-oxoethyl]pentanoyl]amino]pentyl] acetate is sourced from PubChem (CID 159676756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).