(1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole)

C224H367N25O49S3 — CID 163537422

About (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole)

(1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole) (PubChem CID 163537422) has the molecular formula C224H367N25O49S3 and a molecular weight of 4290.73 g/mol. Its IUPAC name is (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole).

Molecular Properties

• Compound Name: (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole)
• PubChem CID: 163537422
• Molecular Formula: C224H367N25O49S3
• Molecular Weight: 4290.73 g/mol
• Exact Mass: 4287.62
• IUPAC Name: (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole)
• SMILES: CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(C)=O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)CCCOCCCCCCC(=O)CNO)C(C)C.CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(C)=O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(O[C@@H]2NC[C@@H](O)[C@H](O)C2O)c(NC(=O)CCNC(=O)CNO)c1)C(C)C.CC[C@@H](Cc1ccccc1)c1nccs1.CC[C@@H](Cc1ccccc1)c1nccs1.CC[C@H](C)C([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCCC(=O)CNO)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCOCCOCCNC(=O)CON)C(C)C.CO[C@H]([C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)[C@@H]1CCCN1C(C)=O.N.O=C=O
• InChI: InChI=1S/C50H83N7O15.C50H82N4O11.C44H80N4O10.C30H59N5O8.C23H30N2O3S.2C13H15NS.CO2.H3N/c1-13-29(6)44(39(69-11)23-42(63)57-20-14-15-35(57)47(70-12)30(7)31(8)58)55(9)49(66)33(27(2)3)22-36(59)43(28(4)5)56(10)50(67)71-26-32-16-17-38(72-48-46(65)45(64)37(60)24-52-48)34(21-32)54-40(61)18-19-51-41(62)25-53-68;1-12-34(6)47(53(9)49(60)39(32(2)3)29-42(57)46(33(4)5)52(8)44(58)25-19-14-13-18-23-38(55)31-51-63)43(64-10)30-45(59)54-26-20-24-40(54)48(65-11)35(7)41(56)28-37(50(61)62)27-36-21-16-15-17-22-36;1-13-31(6)42(38(56-11)27-40(53)48-23-18-21-36(48)43(57-12)32(7)33(8)49)47(10)44(54)35(29(2)3)26-37(51)41(30(4)5)46(9)39(52)22-19-25-58-24-17-15-14-16-20-34(50)28-45-55;1-11-22(7)28(23(12-2)40-10)35(9)30(39)26(20(3)4)33-29(38)27(21(5)6)34(8)25(37)13-15-41-17-18-42-16-14-32-24(36)19-43-31;1-16(22(28-3)20-10-7-12-25(20)17(2)26)21(27)15-19(23-24-11-13-29-23)14-18-8-5-4-6-9-18;2*1-2-12(13-14-8-9-15-13)10-11-6-4-3-5-7-11;2-1-3;/h16-17,21,27-30,33,35,37,39,43-48,52-53,60,64-65,68H,13-15,18-20,22-26H2,1-12H3,(H,51,62)(H,54,61);15-17,21-22,32-35,37,39-40,43,46-48,51,63H,12-14,18-20,23-31H2,1-11H3,(H,61,62);29-32,35-36,38,41-43,45,55H,13-28H2,1-12H3;20-23,26-28H,11-19,31H2,1-10H3,(H,32,36)(H,33,38);4-6,8-9,11,13,16,19-20,22H,7,10,12,14-15H2,1-3H3;2*3-9,12H,2,10H2,1H3;;1H3/t29?,30-,33-,35-,37+,39+,43-,44-,45-,46?,47+,48-;34-,35-,37-,39-,40-,43+,46-,47?,48+;31?,32-,35-,36-,38+,41-,42-,43+;22-,23+,26-,27-,28-;16-,19+,20-,22+;2*12-;;/m0000000../s1
• InChIKey: QSYVFVVYPINVCU-LRFHSKFGSA-N
• XLogP: 26.52
• TPSA: 983.60 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 60
• Rotatable Bonds: 131
• Heavy Atoms: 301
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4290.73
LogP ≤ 5	26.52
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	60

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole)?

The IUPAC name of (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole) (CID 163537422) is (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole).

What is the SMILES notation for (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole)?

The canonical SMILES for (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole) is CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(C)=O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)CCCOCCCCCCC(=O)CNO)C(C)C.CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(C)=O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(O[C@@H]2NC[C@@H](O)[C@H](O)C2O)c(NC(=O)CCNC(=O)CNO)c1)C(C)C.CC[C@@H](Cc1ccccc1)c1nccs1.CC[C@@H](Cc1ccccc1)c1nccs1.CC[C@H](C)C([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCCC(=O)CNO)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCOCCOCCNC(=O)CON)C(C)C.CO[C@H]([C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)[C@@H]1CCCN1C(C)=O.N.O=C=O.

What is the InChIKey of (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole)?

The InChIKey is QSYVFVVYPINVCU-LRFHSKFGSA-N. The full InChI is InChI=1S/C50H83N7O15.C50H82N4O11.C44H80N4O10.C30H59N5O8.C23H30N2O3S.2C13H15NS.CO2.H3N/c1-13-29(6)44(39(69-11)23-42(63)57-20-14-15-35(57)47(70-12)30(7)31(8)58)55(9)49(66)33(27(2)3)22-36(59)43(28(4)5)56(10)50(67)71-26-32-16-17-38(72-48-46(65)45(64)37(60)24-52-48)34(21-32)54-40(61)18-19-51-41(62)25-53-68;1-12-34(6)47(53(9)49(60)39(32(2)3)29-42(57)46(33(4)5)52(8)44(58)25-19-14-13-18-23-38(55)31-51-63)43(64-10)30-45(59)54-26-20-24-40(54)48(65-11)35(7)41(56)28-37(50(61)62)27-36-21-16-15-17-22-36;1-13-31(6)42(38(56-11)27-40(53)48-23-18-21-36(48)43(57-12)32(7)33(8)49)47(10)44(54)35(29(2)3)26-37(51)41(30(4)5)46(9)39(52)22-19-25-58-24-17-15-14-16-20-34(50)28-45-55;1-11-22(7)28(23(12-2)40-10)35(9)30(39)26(20(3)4)33-29(38)27(21(5)6)34(8)25(37)13-15-41-17-18-42-16-14-32-24(36)19-43-31;1-16(22(28-3)20-10-7-12-25(20)17(2)26)21(27)15-19(23-24-11-13-29-23)14-18-8-5-4-6-9-18;2*1-2-12(13-14-8-9-15-13)10-11-6-4-3-5-7-11;2-1-3;/h16-17,21,27-30,33,35,37,39,43-48,52-53,60,64-65,68H,13-15,18-20,22-26H2,1-12H3,(H,51,62)(H,54,61);15-17,21-22,32-35,37,39-40,43,46-48,51,63H,12-14,18-20,23-31H2,1-11H3,(H,61,62);29-32,35-36,38,41-43,45,55H,13-28H2,1-12H3;20-23,26-28H,11-19,31H2,1-10H3,(H,32,36)(H,33,38);4-6,8-9,11,13,16,19-20,22H,7,10,12,14-15H2,1-3H3;2*3-9,12H,2,10H2,1H3;;1H3/t29?,30-,33-,35-,37+,39+,43-,44-,45-,46?,47+,48-;34-,35-,37-,39-,40-,43+,46-,47?,48+;31?,32-,35-,36-,38+,41-,42-,43+;22-,23+,26-,27-,28-;16-,19+,20-,22+;2*12-;;/m0000000../s1.

What are the key properties of (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole)?

(1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole) has a molecular weight of 4290.73 g/mol, XLogP of 26.52, 131 rotatable bonds, 17 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,5R)-1-[(2S)-1-acetylpyrrolidin-2-yl]-1-methoxy-2-methyl-6-phenyl-5-(1,3-thiazol-2-yl)hexan-3-one;(2S)-2-[[(2S)-2-[3-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]propanoyl-methylamino]-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-N,3-dimethylbutanamide;azane;(2S,5R,6R)-2-benzyl-6-[(2S)-1-[(3R,5S)-4-[[(2S,5S)-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoic acid;carbon dioxide;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxypiperidin-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;(2S,5S)-5-[4-[8-(hydroxyamino)-7-oxooctoxy]butanoyl-methylamino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(2-[(2S)-1-phenylbutan-2-yl]-1,3-thiazole) is sourced from PubChem (CID 163537422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).