bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide

C238H370N28O31S6 — CID 157272029

IUPACbis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N(C)C)n1.CC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N(C)C)n1.CC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N2CCOCC2)n1.CC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N2CCOCC2)n1.CCC(=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](Cc2ccccc2)CC(C)C)cs1.CCCO[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](Cc2ccccc2)CC(C)C)cs1
InChIInChI=1S/2C41H63N5O6S.2C39H61N5O5S.C39H60N4O5S.C39H62N4O4S/c2*1-27(2)22-31(23-30-14-10-9-11-15-30)42-38(48)33-26-53-39(43-33)37(52-41(50)46-18-20-51-21-19-46)25-35(29(5)6)45(8)40(49)32(28(3)4)24-36(47)34-16-12-13-17-44(34)7;2*1-25(2)20-29(21-28-16-12-11-13-17-28)40-36(46)31-24-50-37(41-31)35(49-39(48)42(7)8)23-33(27(5)6)44(10)38(47)30(26(3)4)22-34(45)32-18-14-15-19-43(32)9;1-10-36(45)48-35(38-41-31(24-49-38)37(46)40-29(20-25(2)3)21-28-16-12-11-13-17-28)23-33(27(6)7)43(9)39(47)30(26(4)5)22-34(44)32-18-14-15-19-42(32)8;1-10-20-47-36(38-41-32(25-48-38)37(45)40-30(21-26(2)3)22-29-16-12-11-13-17-29)24-34(28(6)7)43(9)39(46)31(27(4)5)23-35(44)33-18-14-15-19-42(33)8/h2*9-11,14-15,26-29,31-32,34-35,37H,12-13,16-25H2,1-8H3,(H,42,48);2*11-13,16-17,24-27,29-30,32-33,35H,14-15,18-23H2,1-10H3,(H,40,46);11-13,16-17,24-27,29-30,32-33,35H,10,14-15,18-23H2,1-9H3,(H,40,46);11-13,16-17,25-28,30-31,33-34,36H,10,14-15,18-24H2,1-9H3,(H,40,45)/t2*31-,32+,34-,35-,37-;3*29-,30+,32-,33-,35-;30-,31+,33-,34-,36-/m111111/s1
InChIKeyAYQPCIMVQWGFLA-WMRLFJDESA-N
MW4312.14 g/mol
LogP41.67
Rot. Bonds105

About bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide

bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 157272029) has the molecular formula C238H370N28O31S6 and a molecular weight of 4312.14 g/mol. Its IUPAC name is bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Namebis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID157272029
Molecular FormulaC238H370N28O31S6
Molecular Weight4312.14 g/mol
Exact Mass4308.66
IUPAC Namebis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N(C)C)n1.CC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N(C)C)n1.CC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N2CCOCC2)n1.CC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N2CCOCC2)n1.CCC(=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](Cc2ccccc2)CC(C)C)cs1.CCCO[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](Cc2ccccc2)CC(C)C)cs1
InChIInChI=1S/2C41H63N5O6S.2C39H61N5O5S.C39H60N4O5S.C39H62N4O4S/c2*1-27(2)22-31(23-30-14-10-9-11-15-30)42-38(48)33-26-53-39(43-33)37(52-41(50)46-18-20-51-21-19-46)25-35(29(5)6)45(8)40(49)32(28(3)4)24-36(47)34-16-12-13-17-44(34)7;2*1-25(2)20-29(21-28-16-12-11-13-17-28)40-36(46)31-24-50-37(41-31)35(49-39(48)42(7)8)23-33(27(5)6)44(10)38(47)30(26(3)4)22-34(45)32-18-14-15-19-43(32)9;1-10-36(45)48-35(38-41-31(24-49-38)37(46)40-29(20-25(2)3)21-28-16-12-11-13-17-28)23-33(27(6)7)43(9)39(47)30(26(4)5)22-34(44)32-18-14-15-19-42(32)8;1-10-20-47-36(38-41-32(25-48-38)37(45)40-30(21-26(2)3)22-29-16-12-11-13-17-29)24-34(28(6)7)43(9)39(46)31(27(4)5)23-35(44)33-18-14-15-19-42(33)8/h2*9-11,14-15,26-29,31-32,34-35,37H,12-13,16-25H2,1-8H3,(H,42,48);2*11-13,16-17,24-27,29-30,32-33,35H,14-15,18-23H2,1-10H3,(H,40,46);11-13,16-17,24-27,29-30,32-33,35H,10,14-15,18-23H2,1-9H3,(H,40,46);11-13,16-17,25-28,30-31,33-34,36H,10,14-15,18-24H2,1-9H3,(H,40,45)/t2*31-,32+,34-,35-,37-;3*29-,30+,32-,33-,35-;30-,31+,33-,34-,36-/m111111/s1
InChIKeyAYQPCIMVQWGFLA-WMRLFJDESA-N
XLogP41.67
TPSA667.81 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds105
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004312.14
LogP ≤ 541.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

Analyze bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide (CID 157272029) is bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide is CC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N(C)C)n1.CC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N(C)C)n1.CC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N2CCOCC2)n1.CC(C)C[C@H](Cc1ccccc1)NC(=O)c1csc([C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]2CCCCN2C)C(C)C)OC(=O)N2CCOCC2)n1.CCC(=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](Cc2ccccc2)CC(C)C)cs1.CCCO[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](Cc2ccccc2)CC(C)C)cs1.
What is the InChIKey of bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is AYQPCIMVQWGFLA-WMRLFJDESA-N. The full InChI is InChI=1S/2C41H63N5O6S.2C39H61N5O5S.C39H60N4O5S.C39H62N4O4S/c2*1-27(2)22-31(23-30-14-10-9-11-15-30)42-38(48)33-26-53-39(43-33)37(52-41(50)46-18-20-51-21-19-46)25-35(29(5)6)45(8)40(49)32(28(3)4)24-36(47)34-16-12-13-17-44(34)7;2*1-25(2)20-29(21-28-16-12-11-13-17-28)40-36(46)31-24-50-37(41-31)35(49-39(48)42(7)8)23-33(27(5)6)44(10)38(47)30(26(3)4)22-34(45)32-18-14-15-19-43(32)9;1-10-36(45)48-35(38-41-31(24-49-38)37(46)40-29(20-25(2)3)21-28-16-12-11-13-17-28)23-33(27(6)7)43(9)39(47)30(26(4)5)22-34(44)32-18-14-15-19-42(32)8;1-10-20-47-36(38-41-32(25-48-38)37(45)40-30(21-26(2)3)22-29-16-12-11-13-17-29)24-34(28(6)7)43(9)39(46)31(27(4)5)23-35(44)33-18-14-15-19-42(33)8/h2*9-11,14-15,26-29,31-32,34-35,37H,12-13,16-25H2,1-8H3,(H,42,48);2*11-13,16-17,24-27,29-30,32-33,35H,14-15,18-23H2,1-10H3,(H,40,46);11-13,16-17,24-27,29-30,32-33,35H,10,14-15,18-23H2,1-9H3,(H,40,46);11-13,16-17,25-28,30-31,33-34,36H,10,14-15,18-24H2,1-9H3,(H,40,45)/t2*31-,32+,34-,35-,37-;3*29-,30+,32-,33-,35-;30-,31+,33-,34-,36-/m111111/s1.
What are the key properties of bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide?
bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 4312.14 g/mol, XLogP of 41.67, 105 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] N,N-dimethylcarbamate);bis([(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] morpholine-4-carboxylate);[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-[4-[[(2R)-4-methyl-1-phenylpentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] propanoate;2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-N-[(2R)-4-methyl-1-phenylpentan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157272029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).