(2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate

C196H264Cl4N16O55S6 — CID 162235849

About (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate (PubChem CID 162235849) has the molecular formula C196H264Cl4N16O55S6 and a molecular weight of 4058.54 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate
• PubChem CID: 162235849
• Molecular Formula: C196H264Cl4N16O55S6
• Molecular Weight: 4058.54 g/mol
• Exact Mass: 4053.54
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate
• SMILES: C/C1=C\C=C\[C@@H](C)[C@@]2(O)CC(OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]2(C)[C@@H](OC(=O)[C@H](C)OCCCSC2CC(=O)N(CC3CCC(C(=O)ON4C(=O)CCC4=O)CC3)C2=O)CC(=O)N(C)c2cc(cc(C)c2Cl)C1.C/C1=C\C=C\[C@@H](C)[C@@]2(O)CC(OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]2(C)[C@@H](OC(=O)[C@H](C)OCCOCCSC2CC(=O)N(CC3CCC(C(=O)ON4C(=O)CCC4=O)CC3)C2=O)CC(=O)N(C)c2cc(cc(C)c2Cl)C1.CCC(CCC(=O)N(C)[C@@H](C)C(=O)O[C@H]1CC(=O)N(C)c2cc(cc(C)c2Cl)C/C(C)=C/C=C/[C@@H](C)[C@@]2(O)CC(OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C)(COC)SSCCCC(=O)ON1C(=O)CCC1=O.COCC(C)(CCC(=O)N(C)[C@@H](C)C(=O)O[C@H]1CC(=O)N(C)c2cc(cc(C)c2Cl)C/C(C)=C/C=C/[C@@H](C)[C@@]2(O)CC(OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C)SSCCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C51H67ClN4O15S.C50H65ClN4O14S.C48H67ClN4O13S2.C47H65ClN4O13S2/c1-28-9-8-10-30(3)51(65)26-37(68-49(64)53-51)31(4)45-50(6,70-45)39(25-42(59)54(7)36-23-34(21-28)22-29(2)44(36)52)69-47(62)32(5)67-18-17-66-19-20-72-38-24-43(60)55(46(38)61)27-33-11-13-35(14-12-33)48(63)71-56-40(57)15-16-41(56)58;1-27-10-8-11-29(3)50(64)25-36(66-48(63)52-50)30(4)44-49(6,68-44)38(24-41(58)53(7)35-22-33(20-27)21-28(2)43(35)51)67-46(61)31(5)65-18-9-19-70-37-23-42(59)54(45(37)60)26-32-12-14-34(15-13-32)47(62)69-55-39(56)16-17-40(55)57;1-11-47(27-62-10,68-67-21-13-16-41(58)66-53-38(55)17-18-39(53)56)20-19-37(54)51(8)32(6)44(59)64-36-25-40(57)52(9)34-24-33(23-29(3)42(34)49)22-28(2)14-12-15-30(4)48(61)26-35(63-45(60)50-48)31(5)43-46(36,7)65-43;1-27-13-11-14-29(3)47(60)25-34(62-44(59)49-47)30(4)42-46(7,64-42)35(24-39(56)51(9)33-23-32(21-27)22-28(2)41(33)48)63-43(58)31(5)50(8)36(53)18-19-45(6,26-61-10)67-66-20-12-15-40(57)65-52-37(54)16-17-38(52)55/h8-10,22-23,30-33,35,37-39,45,65H,11-21,24-27H2,1-7H3,(H,53,64);8,10-11,21-22,29-32,34,36-38,44,64H,9,12-20,23-26H2,1-7H3,(H,52,63);12,14-15,23-24,30-32,35-36,43,61H,11,13,16-22,25-27H2,1-10H3,(H,50,60);11,13-14,22-23,29-31,34-35,42,60H,12,15-21,24-26H2,1-10H3,(H,49,59)/b10-8+,28-9+;11-8+,27-10+;15-12+,28-14+;14-11+,27-13+/t30-,31-,32+,33?,35?,37?,38?,39+,45+,50+,51+;29-,30-,31+,32?,34?,36?,37?,38+,44+,49+,50+;30-,31-,32+,35?,36+,43+,46+,47?,48+;29-,30-,31+,34?,35+,42+,45?,46+,47+/m1111/s1
• InChIKey: ZWAUJYWDCPUKBR-IOJOKZPUSA-N
• XLogP: 24.11
• TPSA: 887.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 61
• Rotatable Bonds: 57
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4058.54
LogP ≤ 5	24.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	61

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate (CID 162235849) is (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate is C/C1=C\C=C\[C@@H](C)[C@@]2(O)CC(OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]2(C)[C@@H](OC(=O)[C@H](C)OCCCSC2CC(=O)N(CC3CCC(C(=O)ON4C(=O)CCC4=O)CC3)C2=O)CC(=O)N(C)c2cc(cc(C)c2Cl)C1.C/C1=C\C=C\[C@@H](C)[C@@]2(O)CC(OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]2(C)[C@@H](OC(=O)[C@H](C)OCCOCCSC2CC(=O)N(CC3CCC(C(=O)ON4C(=O)CCC4=O)CC3)C2=O)CC(=O)N(C)c2cc(cc(C)c2Cl)C1.CCC(CCC(=O)N(C)[C@@H](C)C(=O)O[C@H]1CC(=O)N(C)c2cc(cc(C)c2Cl)C/C(C)=C/C=C/[C@@H](C)[C@@]2(O)CC(OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C)(COC)SSCCCC(=O)ON1C(=O)CCC1=O.COCC(C)(CCC(=O)N(C)[C@@H](C)C(=O)O[C@H]1CC(=O)N(C)c2cc(cc(C)c2Cl)C/C(C)=C/C=C/[C@@H](C)[C@@]2(O)CC(OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C)SSCCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate?

The InChIKey is ZWAUJYWDCPUKBR-IOJOKZPUSA-N. The full InChI is InChI=1S/C51H67ClN4O15S.C50H65ClN4O14S.C48H67ClN4O13S2.C47H65ClN4O13S2/c1-28-9-8-10-30(3)51(65)26-37(68-49(64)53-51)31(4)45-50(6,70-45)39(25-42(59)54(7)36-23-34(21-28)22-29(2)44(36)52)69-47(62)32(5)67-18-17-66-19-20-72-38-24-43(60)55(46(38)61)27-33-11-13-35(14-12-33)48(63)71-56-40(57)15-16-41(56)58;1-27-10-8-11-29(3)50(64)25-36(66-48(63)52-50)30(4)44-49(6,68-44)38(24-41(58)53(7)35-22-33(20-27)21-28(2)43(35)51)67-46(61)31(5)65-18-9-19-70-37-23-42(59)54(45(37)60)26-32-12-14-34(15-13-32)47(62)69-55-39(56)16-17-40(55)57;1-11-47(27-62-10,68-67-21-13-16-41(58)66-53-38(55)17-18-39(53)56)20-19-37(54)51(8)32(6)44(59)64-36-25-40(57)52(9)34-24-33(23-29(3)42(34)49)22-28(2)14-12-15-30(4)48(61)26-35(63-45(60)50-48)31(5)43-46(36,7)65-43;1-27-13-11-14-29(3)47(60)25-34(62-44(59)49-47)30(4)42-46(7,64-42)35(24-39(56)51(9)33-23-32(21-27)22-28(2)41(33)48)63-43(58)31(5)50(8)36(53)18-19-45(6,26-61-10)67-66-20-12-15-40(57)65-52-37(54)16-17-38(52)55/h8-10,22-23,30-33,35,37-39,45,65H,11-21,24-27H2,1-7H3,(H,53,64);8,10-11,21-22,29-32,34,36-38,44,64H,9,12-20,23-26H2,1-7H3,(H,52,63);12,14-15,23-24,30-32,35-36,43,61H,11,13,16-22,25-27H2,1-10H3,(H,50,60);11,13-14,22-23,29-31,34-35,42,60H,12,15-21,24-26H2,1-10H3,(H,49,59)/b10-8+,28-9+;11-8+,27-10+;15-12+,28-14+;14-11+,27-13+/t30-,31-,32+,33?,35?,37?,38?,39+,45+,50+,51+;29-,30-,31+,32?,34?,36?,37?,38+,44+,49+,50+;30-,31-,32+,35?,36+,43+,46+,47?,48+;29-,30-,31+,34?,35+,42+,45?,46+,47+/m1111/s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate?

(2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate has a molecular weight of 4058.54 g/mol, XLogP of 24.11, 57 rotatable bonds, 8 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 4-[[6-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-(methoxymethyl)-6-oxohexan-3-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[5-[[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-methoxy-2-methyl-5-oxopentan-2-yl]disulfanyl]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[2-[2-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxyethoxy]ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[(2S)-1-[[(2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-2,5,9,12,16,20-hexamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]oxypropylsulfanyl]-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 162235849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).