[3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane

C216H325N13O65 — CID 159890090

About [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane

[3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane (PubChem CID 159890090) has the molecular formula C216H325N13O65 and a molecular weight of 4144.00 g/mol. Its IUPAC name is [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane.

Molecular Properties

• Compound Name: [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane
• PubChem CID: 159890090
• Molecular Formula: C216H325N13O65
• Molecular Weight: 4144.00 g/mol
• Exact Mass: 4141.25
• IUPAC Name: [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane
• SMILES: C.C.CC(=O)OCC1OC(OCCCCC(=O)CCCCNC(=O)CCC(N)(CCC(=O)NCCCNC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)CCC(=O)NCCCNC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)C(C)C(C)C1OC(C)=O.CCC(=O)OCc1ccccc1.COc1ccc(C(OC[C@H]2C[C@H](O)CN2C(=O)CCC(=O)CC(CCC(=O)NCCCCC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)(CCC(=O)NCCCNC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)CCC(=O)NCCCNC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2C[C@H](O)CN2C(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C=O
• InChI: InChI=1S/C102H152N6O30.C71H120N6O24.C30H33NO7.C10H12O2.CO2.2CH4/c1-65-68(4)98(136-86(62-129-71(7)109)95(65)133-74(10)112)126-55-23-19-31-81(115)30-18-22-50-103-91(120)44-47-101(48-45-92(121)106-53-26-51-104-89(118)32-20-24-56-127-99-69(5)66(2)96(134-75(11)113)87(137-99)63-130-72(8)110,49-46-93(122)107-54-27-52-105-90(119)33-21-25-57-128-100-70(6)67(3)97(135-76(12)114)88(138-100)64-131-73(9)111)59-82(116)38-43-94(123)108-60-83(117)58-80(108)61-132-102(77-28-16-15-17-29-77,78-34-39-84(124-13)40-35-78)79-36-41-85(125-14)42-37-79;1-44-47(4)68(99-57(41-93-50(7)78)65(44)96-53(10)81)90-38-18-14-24-56(84)23-13-17-33-73-62(87)27-30-71(72,31-28-63(88)76-36-21-34-74-60(85)25-15-19-39-91-69-48(5)45(2)66(97-54(11)82)58(100-69)42-94-51(8)79)32-29-64(89)77-37-22-35-75-61(86)26-16-20-40-92-70-49(6)46(3)67(98-55(12)83)59(101-70)43-95-52(9)80;1-36-26-12-8-22(9-13-26)30(21-6-4-3-5-7-21,23-10-14-27(37-2)15-11-23)38-20-24-18-25(32)19-31(24)28(33)16-17-29(34)35;1-2-10(11)12-8-9-6-4-3-5-7-9;2-1-3;;/h15-17,28-29,34-37,39-42,65-70,80,83,86-88,95-100,117H,18-27,30-33,38,43-64H2,1-14H3,(H,103,120)(H,104,118)(H,105,119)(H,106,121)(H,107,122);44-49,57-59,65-70H,13-43,72H2,1-12H3,(H,73,87)(H,74,85)(H,75,86)(H,76,88)(H,77,89);3-15,24-25,32H,16-20H2,1-2H3,(H,34,35);3-7H,2,8H2,1H3;;2*1H4/t65?,66?,67?,68?,69?,70?,80-,83+,86?,87?,88?,95?,96?,97?,98?,99?,100?,101?;;24-,25+;;;;/m1.1..../s1
• InChIKey: NUQILIDWMMMGPY-AKUFIEQYSA-N
• XLogP: 22.01
• TPSA: 1028.79 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 65
• Rotatable Bonds: 125
• Heavy Atoms: 294
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4144.00
LogP ≤ 5	22.01
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	65

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane?

The IUPAC name of [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane (CID 159890090) is [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane.

What is the SMILES notation for [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane?

The canonical SMILES for [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane is C.C.CC(=O)OCC1OC(OCCCCC(=O)CCCCNC(=O)CCC(N)(CCC(=O)NCCCNC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)CCC(=O)NCCCNC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)C(C)C(C)C1OC(C)=O.CCC(=O)OCc1ccccc1.COc1ccc(C(OC[C@H]2C[C@H](O)CN2C(=O)CCC(=O)CC(CCC(=O)NCCCCC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)(CCC(=O)NCCCNC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)CCC(=O)NCCCNC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2C[C@H](O)CN2C(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C=O.

What is the InChIKey of [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane?

The InChIKey is NUQILIDWMMMGPY-AKUFIEQYSA-N. The full InChI is InChI=1S/C102H152N6O30.C71H120N6O24.C30H33NO7.C10H12O2.CO2.2CH4/c1-65-68(4)98(136-86(62-129-71(7)109)95(65)133-74(10)112)126-55-23-19-31-81(115)30-18-22-50-103-91(120)44-47-101(48-45-92(121)106-53-26-51-104-89(118)32-20-24-56-127-99-69(5)66(2)96(134-75(11)113)87(137-99)63-130-72(8)110,49-46-93(122)107-54-27-52-105-90(119)33-21-25-57-128-100-70(6)67(3)97(135-76(12)114)88(138-100)64-131-73(9)111)59-82(116)38-43-94(123)108-60-83(117)58-80(108)61-132-102(77-28-16-15-17-29-77,78-34-39-84(124-13)40-35-78)79-36-41-85(125-14)42-37-79;1-44-47(4)68(99-57(41-93-50(7)78)65(44)96-53(10)81)90-38-18-14-24-56(84)23-13-17-33-73-62(87)27-30-71(72,31-28-63(88)76-36-21-34-74-60(85)25-15-19-39-91-69-48(5)45(2)66(97-54(11)82)58(100-69)42-94-51(8)79)32-29-64(89)77-37-22-35-75-61(86)26-16-20-40-92-70-49(6)46(3)67(98-55(12)83)59(101-70)43-95-52(9)80;1-36-26-12-8-22(9-13-26)30(21-6-4-3-5-7-21,23-10-14-27(37-2)15-11-23)38-20-24-18-25(32)19-31(24)28(33)16-17-29(34)35;1-2-10(11)12-8-9-6-4-3-5-7-9;2-1-3;;/h15-17,28-29,34-37,39-42,65-70,80,83,86-88,95-100,117H,18-27,30-33,38,43-64H2,1-14H3,(H,103,120)(H,104,118)(H,105,119)(H,106,121)(H,107,122);44-49,57-59,65-70H,13-43,72H2,1-12H3,(H,73,87)(H,74,85)(H,75,86)(H,76,88)(H,77,89);3-15,24-25,32H,16-20H2,1-2H3,(H,34,35);3-7H,2,8H2,1H3;;2*1H4/t65?,66?,67?,68?,69?,70?,80-,83+,86?,87?,88?,95?,96?,97?,98?,99?,100?,101?;;24-,25+;;;;/m1.1..../s1.

What are the key properties of [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane?

[3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane has a molecular weight of 4144.00 g/mol, XLogP of 22.01, 125 rotatable bonds, 14 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for [3-acetyloxy-6-[9-[[7-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-4-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-4-amino-7-oxoheptanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;[3-acetyloxy-6-[9-[[4,4-bis[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropyl]-9-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6,9-dioxononanoyl]amino]-5-oxononoxy]-4,5-dimethyloxan-2-yl]methyl acetate;benzyl propanoate;4-[(2R,4S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanoic acid;carbon dioxide;methane is sourced from PubChem (CID 159890090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).