[4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide

C319H503N33O77S4 — CID 165068826

About [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide

[4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide (PubChem CID 165068826) has the molecular formula C319H503N33O77S4 and a molecular weight of 6160.96 g/mol. Its IUPAC name is [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide.

Molecular Properties

• Compound Name: [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide
• PubChem CID: 165068826
• Molecular Formula: C319H503N33O77S4
• Molecular Weight: 6160.96 g/mol
• Exact Mass: 6156.53
• IUPAC Name: [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide
• SMILES: CCC(=O)N(C)[C@H](C(=O)C[C@H](C(=O)N(C)[C@@H](C(C)CC)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)C(C)C)C(C)C.CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)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(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(O[C@@H]2OCC(O)[C@H](O)C2O)c(NC(=O)CCC(=O)NN)c1)C(C)C.CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)C2O)c(NC(=O)CCNC(=O)CNO)c1)C(C)C.CCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCCC(N)=O)NC(=O)[C@@H](NC(=O)CCCCNO)C(C)C)cc1.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(C)=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.O=C=O.O=C=O
• InChI: InChI=1S/C61H91N7O16S.C60H89N7O15S.C55H89N5O10S.C51H84N4O10.C46H72N4O7S.C44H78N6O15.2CO2/c1-12-37(6)54(49(80-10)31-52(74)68-25-16-19-44(68)57(81-11)38(7)45(69)29-41(58-63-24-26-85-58)27-39-17-14-13-15-18-39)66(8)59(77)42(35(2)3)30-46(70)53(36(4)5)67(9)61(78)83-33-40-20-21-48(84-60-56(76)55(75)47(71)34-82-60)43(28-40)65-50(72)22-23-62-51(73)32-64-79;1-12-36(6)53(48(78-10)31-51(73)67-25-16-19-43(67)56(79-11)37(7)44(68)29-40(57-62-24-26-83-57)27-38-17-14-13-15-18-38)65(8)58(76)41(34(2)3)30-45(69)52(35(4)5)66(9)60(77)81-32-39-20-21-47(82-59-55(75)54(74)46(70)33-80-59)42(28-39)63-49(71)22-23-50(72)64-61;1-12-39(6)52(59(9)55(66)44(37(2)3)34-47(63)51(38(4)5)58(8)49(64)26-21-30-70-29-19-14-13-18-24-43(61)36-57-67)48(68-10)35-50(65)60-28-20-25-45(60)53(69-11)40(7)46(62)33-42(54-56-27-31-71-54)32-41-22-16-15-17-23-41;1-13-35(6)49(54(10)51(62)41(33(2)3)30-44(59)48(34(4)5)53(9)46(60)26-20-15-14-19-24-40(57)32-52-63)45(64-11)31-47(61)55-27-21-25-42(55)50(65-12)36(7)43(58)29-39(37(8)56)28-38-22-17-16-18-23-38;1-13-31(7)43(49(10)46(55)35(29(3)4)27-38(52)42(30(5)6)48(9)40(53)14-2)39(56-11)28-41(54)50-23-18-21-36(50)44(57-12)32(8)37(51)26-34(45-47-22-24-58-45)25-33-19-16-15-17-20-33;1-4-18-57-20-22-59-24-26-61-28-30-63-32-33-64-31-29-62-27-25-60-23-21-58-19-17-46-44(55)65-34-36-12-14-37(15-13-36)48-42(53)38(9-5-6-10-39(45)51)49-43(54)41(35(2)3)50-40(52)11-7-8-16-47-56;2*2-1-3/h13-15,17-18,20-21,24,26,28,35-38,41-42,44,47,49,53-57,60,64,71,75-76,79H,12,16,19,22-23,25,27,29-34H2,1-11H3,(H,62,73)(H,65,72);13-15,17-18,20-21,24,26,28,34-37,40-41,43,46,48,52-56,59,70,74-75H,12,16,19,22-23,25,27,29-33,61H2,1-11H3,(H,63,71)(H,64,72);15-17,22-23,27,31,37-40,42,44-45,48,51-53,57,67H,12-14,18-21,24-26,28-30,32-36H2,1-11H3;16-18,22-23,33-36,39,41-42,45,48-50,52,63H,13-15,19-21,24-32H2,1-12H3;15-17,19-20,22,24,29-32,34-36,39,42-44H,13-14,18,21,23,25-28H2,1-12H3;12-15,35,38,41,47,56H,4-11,16-34H2,1-3H3,(H2,45,51)(H,46,55)(H,48,53)(H,49,54)(H,50,52);;/t37?,38-,41+,42-,44-,47+,49+,53-,54-,55-,56?,57+,60-;36?,37-,40+,41-,43-,46?,48+,52-,53-,54-,55?,56+,59-;39?,40-,42+,44-,45-,48+,51-,52-,53+;35-,36-,39-,41-,42-,45+,48-,49?,50+;31?,32-,34+,35-,36-,39+,42-,43-,44+;38-,41-;;/m000000../s1
• InChIKey: SKKUXWNNAYBHKO-DYCMDCNVSA-N
• XLogP: 34.31
• TPSA: 1438.71 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 90
• Rotatable Bonds: 200
• Heavy Atoms: 433
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	6160.96
LogP ≤ 5	34.31
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	90

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide?

The IUPAC name of [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide (CID 165068826) is [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide.

What is the SMILES notation for [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide?

The canonical SMILES for [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide is CCC(=O)N(C)[C@H](C(=O)C[C@H](C(=O)N(C)[C@@H](C(C)CC)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)C(C)C)C(C)C.CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)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(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(O[C@@H]2OCC(O)[C@H](O)C2O)c(NC(=O)CCC(=O)NN)c1)C(C)C.CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)C2O)c(NC(=O)CCNC(=O)CNO)c1)C(C)C.CCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCCC(N)=O)NC(=O)[C@@H](NC(=O)CCCCNO)C(C)C)cc1.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(C)=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.O=C=O.O=C=O.

What is the InChIKey of [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide?

The InChIKey is SKKUXWNNAYBHKO-DYCMDCNVSA-N. The full InChI is InChI=1S/C61H91N7O16S.C60H89N7O15S.C55H89N5O10S.C51H84N4O10.C46H72N4O7S.C44H78N6O15.2CO2/c1-12-37(6)54(49(80-10)31-52(74)68-25-16-19-44(68)57(81-11)38(7)45(69)29-41(58-63-24-26-85-58)27-39-17-14-13-15-18-39)66(8)59(77)42(35(2)3)30-46(70)53(36(4)5)67(9)61(78)83-33-40-20-21-48(84-60-56(76)55(75)47(71)34-82-60)43(28-40)65-50(72)22-23-62-51(73)32-64-79;1-12-36(6)53(48(78-10)31-51(73)67-25-16-19-43(67)56(79-11)37(7)44(68)29-40(57-62-24-26-83-57)27-38-17-14-13-15-18-38)65(8)58(76)41(34(2)3)30-45(69)52(35(4)5)66(9)60(77)81-32-39-20-21-47(82-59-55(75)54(74)46(70)33-80-59)42(28-39)63-49(71)22-23-50(72)64-61;1-12-39(6)52(59(9)55(66)44(37(2)3)34-47(63)51(38(4)5)58(8)49(64)26-21-30-70-29-19-14-13-18-24-43(61)36-57-67)48(68-10)35-50(65)60-28-20-25-45(60)53(69-11)40(7)46(62)33-42(54-56-27-31-71-54)32-41-22-16-15-17-23-41;1-13-35(6)49(54(10)51(62)41(33(2)3)30-44(59)48(34(4)5)53(9)46(60)26-20-15-14-19-24-40(57)32-52-63)45(64-11)31-47(61)55-27-21-25-42(55)50(65-12)36(7)43(58)29-39(37(8)56)28-38-22-17-16-18-23-38;1-13-31(7)43(49(10)46(55)35(29(3)4)27-38(52)42(30(5)6)48(9)40(53)14-2)39(56-11)28-41(54)50-23-18-21-36(50)44(57-12)32(8)37(51)26-34(45-47-22-24-58-45)25-33-19-16-15-17-20-33;1-4-18-57-20-22-59-24-26-61-28-30-63-32-33-64-31-29-62-27-25-60-23-21-58-19-17-46-44(55)65-34-36-12-14-37(15-13-36)48-42(53)38(9-5-6-10-39(45)51)49-43(54)41(35(2)3)50-40(52)11-7-8-16-47-56;2*2-1-3/h13-15,17-18,20-21,24,26,28,35-38,41-42,44,47,49,53-57,60,64,71,75-76,79H,12,16,19,22-23,25,27,29-34H2,1-11H3,(H,62,73)(H,65,72);13-15,17-18,20-21,24,26,28,34-37,40-41,43,46,48,52-56,59,70,74-75H,12,16,19,22-23,25,27,29-33,61H2,1-11H3,(H,63,71)(H,64,72);15-17,22-23,27,31,37-40,42,44-45,48,51-53,57,67H,12-14,18-21,24-26,28-30,32-36H2,1-11H3;16-18,22-23,33-36,39,41-42,45,48-50,52,63H,13-15,19-21,24-32H2,1-12H3;15-17,19-20,22,24,29-32,34-36,39,42-44H,13-14,18,21,23,25-28H2,1-12H3;12-15,35,38,41,47,56H,4-11,16-34H2,1-3H3,(H2,45,51)(H,46,55)(H,48,53)(H,49,54)(H,50,52);;/t37?,38-,41+,42-,44-,47+,49+,53-,54-,55-,56?,57+,60-;36?,37-,40+,41-,43-,46?,48+,52-,53-,54-,55?,56+,59-;39?,40-,42+,44-,45-,48+,51-,52-,53+;35-,36-,39-,41-,42-,45+,48-,49?,50+;31?,32-,34+,35-,36-,39+,42-,43-,44+;38-,41-;;/m000000../s1.

What are the key properties of [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide?

[4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide has a molecular weight of 6160.96 g/mol, XLogP of 34.31, 200 rotatable bonds, 24 hydrogen bond donors, and 90 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(2S)-7-amino-2-[[(2S)-2-[5-(hydroxyamino)pentanoylamino]-3-methylbutanoyl]amino]-7-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;(2S,5S)-N-[(3R,5S)-1-[(2S)-2-[(1R,2R,5S)-5-benzyl-1-methoxy-2-methyl-3,6-dioxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-[[9-(hydroxyamino)-8-oxononanoyl]-methylamino]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;bis(carbon dioxide);[3-[(4-hydrazinyl-4-oxobutanoyl)amino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;[3-[3-[[2-(hydroxyamino)acetyl]amino]propanoylamino]-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]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,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;(2S,5S)-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,6-dimethyl-5-[methyl(propanoyl)amino]-4-oxo-2-propan-2-ylheptanamide is sourced from PubChem (CID 165068826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).