N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide)

C138H159Cl4N13O46 — CID 159270282

About N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide)

N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide) (PubChem CID 159270282) has the molecular formula C138H159Cl4N13O46 and a molecular weight of 2877.65 g/mol. Its IUPAC name is N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide).

Molecular Properties

• Compound Name: N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide)
• PubChem CID: 159270282
• Molecular Formula: C138H159Cl4N13O46
• Molecular Weight: 2877.65 g/mol
• Exact Mass: 2873.93
• IUPAC Name: N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide)
• SMILES: CNC(CC(C)C)C(=O)NC1C(=O)CC(CC(N)=O)C(=O)NC2CCC3C(=O)CC(C(=O)NCc4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)[C@@H]1O.O=C=O.O=C=O.[H]/N=C1/CC2C(=O)CC(C(=O)NCc3cc(O)cc(O)c3-c3cc2ccc3O)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)[C@H](O)C(NC(=O)C(CC(C)C)NC)C(=O)CC(CC(N)=O)C(=O)NC13
• InChI: InChI=1S/C68H79Cl2N7O21.C68H80Cl2N6O21.2CO2/c1-27(2)12-42(74-5)66(92)77-56-46(83)17-33(20-52(72)84)64(90)76-55-32-18-49(61(50(19-32)95-48-11-8-31(58(56)86)16-40(48)70)98-67-62(60(88)59(87)51(26-78)96-67)97-53-24-68(4,73)63(89)28(3)93-53)94-47-10-7-30(15-39(47)69)57(85)38-23-44(81)36(22-41(55)71)29-6-9-43(80)37(14-29)54-34(25-75-65(38)91)13-35(79)21-45(54)82;1-28(2)14-43(73-5)66(91)76-56-47(82)19-34(22-53(71)83)64(89)75-42-10-9-37-30-6-11-44(79)38(16-30)55-35(15-36(78)23-46(55)81)26-74-65(90)39(24-45(37)80)57(84)31-7-12-48(40(69)17-31)93-50-20-33(42)21-51(94-49-13-8-32(58(56)85)18-41(49)70)61(50)97-67-62(60(87)59(86)52(27-77)95-67)96-54-25-68(4,72)63(88)29(3)92-54;2*2-1-3/h6-11,13-16,18-19,21,27-28,33,36,38,42,51,53,55-60,62-63,67,71,74,78-80,82,85-89H,12,17,20,22-26,73H2,1-5H3,(H2,72,84)(H,75,91)(H,76,90)(H,77,92);6-8,11-13,15-18,20-21,23,28-29,34,37,39,42-43,52,54,56-60,62-63,67,73,77-79,81,84-88H,9-10,14,19,22,24-27,72H2,1-5H3,(H2,71,83)(H,74,90)(H,75,89)(H,76,91);;/b71-41-;;;/t28?,33?,36?,38?,42?,51?,53?,55?,56?,57?,58-,59?,60?,62?,63?,67?,68?;29?,34?,37?,39?,42?,43?,52?,54?,56?,57?,58-,59?,60?,62?,63?,67?,68?;;/m00../s1
• InChIKey: KXPXIWROHMQVIE-BUDNLGRZSA-N
• XLogP: 7.20
• TPSA: 972.19 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 51
• Rotatable Bonds: 24
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2877.65
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide)?

The IUPAC name of N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide) (CID 159270282) is N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide).

What is the SMILES notation for N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide)?

The canonical SMILES for N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide) is CNC(CC(C)C)C(=O)NC1C(=O)CC(CC(N)=O)C(=O)NC2CCC3C(=O)CC(C(=O)NCc4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)[C@@H]1O.O=C=O.O=C=O.[H]/N=C1/CC2C(=O)CC(C(=O)NCc3cc(O)cc(O)c3-c3cc2ccc3O)C(O)c2ccc(c(Cl)c2)Oc2cc3cc(c2OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)[C@H](O)C(NC(=O)C(CC(C)C)NC)C(=O)CC(CC(N)=O)C(=O)NC13.

What is the InChIKey of N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide)?

The InChIKey is KXPXIWROHMQVIE-BUDNLGRZSA-N. The full InChI is InChI=1S/C68H79Cl2N7O21.C68H80Cl2N6O21.2CO2/c1-27(2)12-42(74-5)66(92)77-56-46(83)17-33(20-52(72)84)64(90)76-55-32-18-49(61(50(19-32)95-48-11-8-31(58(56)86)16-40(48)70)98-67-62(60(88)59(87)51(26-78)96-67)97-53-24-68(4,73)63(89)28(3)93-53)94-47-10-7-30(15-39(47)69)57(85)38-23-44(81)36(22-41(55)71)29-6-9-43(80)37(14-29)54-34(25-75-65(38)91)13-35(79)21-45(54)82;1-28(2)14-43(73-5)66(91)76-56-47(82)19-34(22-53(71)83)64(89)75-42-10-9-37-30-6-11-44(79)38(16-30)55-35(15-36(78)23-46(55)81)26-74-65(90)39(24-45(37)80)57(84)31-7-12-48(40(69)17-31)93-50-20-33(42)21-51(94-49-13-8-32(58(56)85)18-41(49)70)61(50)97-67-62(60(87)59(86)52(27-77)95-67)96-54-25-68(4,72)63(88)29(3)92-54;2*2-1-3/h6-11,13-16,18-19,21,27-28,33,36,38,42,51,53,55-60,62-63,67,71,74,78-80,82,85-89H,12,17,20,22-26,73H2,1-5H3,(H2,72,84)(H,75,91)(H,76,90)(H,77,92);6-8,11-13,15-18,20-21,23,28-29,34,37,39,42-43,52,54,56-60,62-63,67,73,77-79,81,84-88H,9-10,14,19,22,24-27,72H2,1-5H3,(H2,71,83)(H,74,90)(H,75,89)(H,76,91);;/b71-41-;;;/t28?,33?,36?,38?,42?,51?,53?,55?,56?,57?,58-,59?,60?,62?,63?,67?,68?;29?,34?,37?,39?,42?,43?,52?,54?,56?,57?,58-,59?,60?,62?,63?,67?,68?;;/m00../s1.

What are the key properties of N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide)?

N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide) has a molecular weight of 2877.65 g/mol, XLogP of 7.20, 24 rotatable bonds, 31 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-26-imino-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;N-[(18S)-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,42,44-tetraoxo-7,13-dioxa-24,41-diazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide;bis(carbon dioxide) is sourced from PubChem (CID 159270282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).