sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide

C122H115N30NaO21S12+2 — CID 158111551

About sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide

sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide (PubChem CID 158111551) has the molecular formula C122H115N30NaO21S12+2 and a molecular weight of 2745.24 g/mol. Its IUPAC name is sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide.

Molecular Properties

• Compound Name: sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide
• PubChem CID: 158111551
• Molecular Formula: C122H115N30NaO21S12+2
• Molecular Weight: 2745.24 g/mol
• Exact Mass: 2742.54
• IUPAC Name: sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide
• SMILES: C#[N+]CC(=O)OCC.C#[N+]c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)[C@H]([C@@H](OC(C)=O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@@H](C(C)C)NC(=O)c2nc(sc2C)[C@H](CC(=O)NC)NC(=O)c2csc-3n2)n1.CCOC(=O)c1cn(-c2csc(-c3ccc4c(n3)-c3csc(n3)-c3csc(n3)[C@H]([C@@H](OC(C)=O)c3ccccc3)NC(=O)CNC(=O)c3nc(sc3COC)[C@@H](C(C)C)NC(=O)c3nc(sc3C)[C@H](CC(=O)NC)NC(=O)c3csc-4n3)n2)cn1.[Na+].[OH-].c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C55H52N14O10S6.C50H45N13O8S6.C12H8N2.C5H8NO2.Na.H2O/c1-8-78-55(76)32-18-69(24-58-32)37-23-83-50(64-37)30-15-14-29-42(59-30)33-20-81-51(61-33)35-22-82-53(63-35)44(45(79-27(5)70)28-12-10-9-11-13-28)65-39(72)17-57-47(74)43-36(19-77-7)85-54(68-43)40(25(2)3)66-48(75)41-26(4)84-52(67-41)31(16-38(71)56-6)60-46(73)34-21-80-49(29)62-34;1-22(2)36-50-63-39(32(77-50)17-70-7)43(68)53-16-35(66)60-40(41(71-24(4)64)25-11-9-8-10-12-25)49-58-31(20-74-49)47-56-29(18-73-47)38-26(13-14-27(54-38)46-59-33(51-5)21-75-46)45-57-30(19-72-45)42(67)55-28(15-34(65)52-6)48-62-37(23(3)76-48)44(69)61-36;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-8-5(7)4-6-2;;/h9-15,18,20-25,31,40,44-45H,8,16-17,19H2,1-7H3,(H,56,71)(H,57,74)(H,60,73)(H,65,72)(H,66,75);5,8-14,18-22,28,36,40-41H,15-17H2,1-4,6-7H3,(H4-,52,53,55,60,61,65,66,67,68,69);1-8H;2H,3-4H2,1H3;;1H2/q;;;2*+1;/t31-,40+,44-,45-;28-,36+,40-,41-;;;;/m00..../s1
• InChIKey: RPMYQPUHPAPASC-OXRSHKKPSA-N
• XLogP: 16.84
• TPSA: 677.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 51
• Rotatable Bonds: 23
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2745.24
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide?

The IUPAC name of sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide (CID 158111551) is sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide.

What is the SMILES notation for sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide?

The canonical SMILES for sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide is C#[N+]CC(=O)OCC.C#[N+]c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)[C@H]([C@@H](OC(C)=O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@@H](C(C)C)NC(=O)c2nc(sc2C)[C@H](CC(=O)NC)NC(=O)c2csc-3n2)n1.CCOC(=O)c1cn(-c2csc(-c3ccc4c(n3)-c3csc(n3)-c3csc(n3)[C@H]([C@@H](OC(C)=O)c3ccccc3)NC(=O)CNC(=O)c3nc(sc3COC)[C@@H](C(C)C)NC(=O)c3nc(sc3C)[C@H](CC(=O)NC)NC(=O)c3csc-4n3)n2)cn1.[Na+].[OH-].c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide?

The InChIKey is RPMYQPUHPAPASC-OXRSHKKPSA-N. The full InChI is InChI=1S/C55H52N14O10S6.C50H45N13O8S6.C12H8N2.C5H8NO2.Na.H2O/c1-8-78-55(76)32-18-69(24-58-32)37-23-83-50(64-37)30-15-14-29-42(59-30)33-20-81-51(61-33)35-22-82-53(63-35)44(45(79-27(5)70)28-12-10-9-11-13-28)65-39(72)17-57-47(74)43-36(19-77-7)85-54(68-43)40(25(2)3)66-48(75)41-26(4)84-52(67-41)31(16-38(71)56-6)60-46(73)34-21-80-49(29)62-34;1-22(2)36-50-63-39(32(77-50)17-70-7)43(68)53-16-35(66)60-40(41(71-24(4)64)25-11-9-8-10-12-25)49-58-31(20-74-49)47-56-29(18-73-47)38-26(13-14-27(54-38)46-59-33(51-5)21-75-46)45-57-30(19-72-45)42(67)55-28(15-34(65)52-6)48-62-37(23(3)76-48)44(69)61-36;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-8-5(7)4-6-2;;/h9-15,18,20-25,31,40,44-45H,8,16-17,19H2,1-7H3,(H,56,71)(H,57,74)(H,60,73)(H,65,72)(H,66,75);5,8-14,18-22,28,36,40-41H,15-17H2,1-4,6-7H3,(H4-,52,53,55,60,61,65,66,67,68,69);1-8H;2H,3-4H2,1H3;;1H2/q;;;2*+1;/t31-,40+,44-,45-;28-,36+,40-,41-;;;;/m00..../s1.

What are the key properties of sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide?

sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide has a molecular weight of 2745.24 g/mol, XLogP of 16.84, 23 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-methylidyneazanium;(2-ethoxy-2-oxoethyl)-methylidyneazanium;ethyl 1-[2-[(18S,25R,35S)-35-[(S)-acetyloxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]imidazole-4-carboxylate;1,10-phenanthroline;hydroxide is sourced from PubChem (CID 158111551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).