[4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid

C143H193N15O39P2 — CID 157115175

About [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid

[4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid (PubChem CID 157115175) has the molecular formula C143H193N15O39P2 and a molecular weight of 2808.13 g/mol. Its IUPAC name is [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid.

Molecular Properties

• Compound Name: [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid
• PubChem CID: 157115175
• Molecular Formula: C143H193N15O39P2
• Molecular Weight: 2808.13 g/mol
• Exact Mass: 2806.31
• IUPAC Name: [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid
• SMILES: C=CCOC(=O)NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)CC(C)(CC(C)(CC(C)(CC)C(=O)NCC(C)O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)NCC(C)O)C(=O)Nc1ccc(COC(=O)O[C@H](C(=O)OC2C[C@]3(O)[C@H](OC(=O)c4ccccc4)[C@H]4[C@@]5(CC(C)=O)CC[C@H]5C[C@@H](O)[C@]4(C)C(=O)[C@@H](OC(C)=O)C(=C2C)C3(C)C)[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C143H193N15O39P2/c1-20-65-192-133(182)145-63-41-40-55-102(123(172)152-100-58-56-95(57-59-100)81-193-134(183)196-116(101(96-49-34-25-35-50-96)72-108(163)97-51-36-26-37-52-97)128(177)195-109-74-142(184)120(197-127(176)98-53-38-27-39-54-98)118-140(19,110(164)71-99-60-62-141(99,118)73-87(7)159)119(169)117(194-91(11)162)115(90(109)10)136(142,14)15)156-124(173)105(68-92-43-28-22-29-44-92)153-112(166)78-147-122(171)104(67-86(5)6)158-125(174)106(69-93-45-30-23-31-46-93)154-113(167)79-150-129(178)135(12,13)82-138(17,131(180)149-76-89(9)161)84-139(18,83-137(16,21-2)130(179)148-75-88(8)160)132(181)151-80-114(168)155-107(70-94-47-32-24-33-48-94)126(175)157-103(66-85(3)4)121(170)146-77-111(165)144-64-42-61-143(185,198(186,187)188)199(189,190)191/h20,22-39,43-54,56-59,85-86,88-89,99,101-107,109-110,116-118,120,160-161,164,184-185H,1,21,40-42,55,60-84H2,2-19H3,(H,144,165)(H,145,182)(H,146,170)(H,147,171)(H,148,179)(H,149,180)(H,150,178)(H,151,181)(H,152,172)(H,153,166)(H,154,167)(H,155,168)(H,156,173)(H,157,175)(H,158,174)(H2,186,187,188)(H2,189,190,191)/t88?,89?,99-,101+,102?,103?,104?,105?,106?,107?,109?,110+,116-,117-,118+,120+,137?,138?,139?,140-,141+,142-/m0/s1
• InChIKey: XEYLORFUPJAQHH-RDKAVZEISA-N
• XLogP: 9.39
• TPSA: 827.58 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 35
• Rotatable Bonds: 74
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2808.13
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid?

The IUPAC name of [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid (CID 157115175) is [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid.

What is the SMILES notation for [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid?

The canonical SMILES for [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid is C=CCOC(=O)NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)CC(C)(CC(C)(CC(C)(CC)C(=O)NCC(C)O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)NCC(C)O)C(=O)Nc1ccc(COC(=O)O[C@H](C(=O)OC2C[C@]3(O)[C@H](OC(=O)c4ccccc4)[C@H]4[C@@]5(CC(C)=O)CC[C@H]5C[C@@H](O)[C@]4(C)C(=O)[C@@H](OC(C)=O)C(=C2C)C3(C)C)[C@H](CC(=O)c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid?

The InChIKey is XEYLORFUPJAQHH-RDKAVZEISA-N. The full InChI is InChI=1S/C143H193N15O39P2/c1-20-65-192-133(182)145-63-41-40-55-102(123(172)152-100-58-56-95(57-59-100)81-193-134(183)196-116(101(96-49-34-25-35-50-96)72-108(163)97-51-36-26-37-52-97)128(177)195-109-74-142(184)120(197-127(176)98-53-38-27-39-54-98)118-140(19,110(164)71-99-60-62-141(99,118)73-87(7)159)119(169)117(194-91(11)162)115(90(109)10)136(142,14)15)156-124(173)105(68-92-43-28-22-29-44-92)153-112(166)78-147-122(171)104(67-86(5)6)158-125(174)106(69-93-45-30-23-31-46-93)154-113(167)79-150-129(178)135(12,13)82-138(17,131(180)149-76-89(9)161)84-139(18,83-137(16,21-2)130(179)148-75-88(8)160)132(181)151-80-114(168)155-107(70-94-47-32-24-33-48-94)126(175)157-103(66-85(3)4)121(170)146-77-111(165)144-64-42-61-143(185,198(186,187)188)199(189,190)191/h20,22-39,43-54,56-59,85-86,88-89,99,101-107,109-110,116-118,120,160-161,164,184-185H,1,21,40-42,55,60-84H2,2-19H3,(H,144,165)(H,145,182)(H,146,170)(H,147,171)(H,148,179)(H,149,180)(H,150,178)(H,151,181)(H,152,172)(H,153,166)(H,154,167)(H,155,168)(H,156,173)(H,157,175)(H,158,174)(H2,186,187,188)(H2,189,190,191)/t88?,89?,99-,101+,102?,103?,104?,105?,106?,107?,109?,110+,116-,117-,118+,120+,137?,138?,139?,140-,141+,142-/m0/s1.

What are the key properties of [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid?

[4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid has a molecular weight of 2808.13 g/mol, XLogP of 9.39, 74 rotatable bonds, 24 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-[[2-[[2-[[2-[[7-[[2-[[1-[[1-[[2-[[1-[[1-[4-[[(2S,3R)-1-[[(1R,2R,3S,4R,7S,9R,10R,12S)-12-acetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-(2-oxopropyl)-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-1,5-dioxo-3,5-diphenylpentan-2-yl]oxycarbonyloxymethyl]anilino]-1-oxo-6-(prop-2-enoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-4-(2-hydroxypropylcarbamoyl)-2-[2-(2-hydroxypropylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethyl-7-oxoheptanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid is sourced from PubChem (CID 157115175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).