22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid

C116H198N10O27 — CID 158250215

IUPAC22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid
SMILESCC(C)(CC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)CN[C@@H](CCCCNC(=O)CCC(=O)NCCOCCOCCCC(=O)CC[C@H](NC(=O)C1CCC(CCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)CCC(CCCCNC(=O)CCC(=O)CCCOCCOCCNC(=O)CCC(CC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)O
InChIInChI=1S/C116H198N10O27/c1-116(2,83-103(132)98(117)82-94-85-118-87-125-94)104(133)86-123-99(45-36-38-70-120-108(137)67-68-109(138)122-72-76-153-80-77-150-73-39-43-96(128)61-63-100(115(148)149)126-112(143)91-56-49-88(50-57-91)53-60-95(127)42-31-27-23-19-15-11-7-3-5-9-13-17-21-25-29-33-47-110(139)140)101(130)64-58-92(113(144)145)41-35-37-69-119-107(136)66-62-97(129)44-40-74-151-78-79-152-75-71-121-106(135)65-59-93(114(146)147)81-102(131)90-54-51-89(52-55-90)84-124-105(134)46-32-28-24-20-16-12-8-4-6-10-14-18-22-26-30-34-48-111(141)142/h85,87-93,98-100,123H,3-84,86,117H2,1-2H3,(H,118,125)(H,119,136)(H,120,137)(H,121,135)(H,122,138)(H,124,134)(H,126,143)(H,139,140)(H,141,142)(H,144,145)(H,146,147)(H,148,149)/t88?,89?,90?,91?,92?,93?,98-,99-,100-/m0/s1
InChIKeyGGPTYJFBSNDIJM-JXSDAKDVSA-N
MW2164.90 g/mol
LogP17.05
Rot. Bonds106

About 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid

22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid (PubChem CID 158250215) has the molecular formula C116H198N10O27 and a molecular weight of 2164.90 g/mol. Its IUPAC name is 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid.

Molecular Properties

Compound Name22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid
PubChem CID158250215
Molecular FormulaC116H198N10O27
Molecular Weight2164.90 g/mol
Exact Mass2163.44
IUPAC Name22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid
SMILESCC(C)(CC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)CN[C@@H](CCCCNC(=O)CCC(=O)NCCOCCOCCCC(=O)CC[C@H](NC(=O)C1CCC(CCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)CCC(CCCCNC(=O)CCC(=O)CCCOCCOCCNC(=O)CCC(CC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)O
InChIInChI=1S/C116H198N10O27/c1-116(2,83-103(132)98(117)82-94-85-118-87-125-94)104(133)86-123-99(45-36-38-70-120-108(137)67-68-109(138)122-72-76-153-80-77-150-73-39-43-96(128)61-63-100(115(148)149)126-112(143)91-56-49-88(50-57-91)53-60-95(127)42-31-27-23-19-15-11-7-3-5-9-13-17-21-25-29-33-47-110(139)140)101(130)64-58-92(113(144)145)41-35-37-69-119-107(136)66-62-97(129)44-40-74-151-78-79-152-75-71-121-106(135)65-59-93(114(146)147)81-102(131)90-54-51-89(52-55-90)84-124-105(134)46-32-28-24-20-16-12-8-4-6-10-14-18-22-26-30-34-48-111(141)142/h85,87-93,98-100,123H,3-84,86,117H2,1-2H3,(H,118,125)(H,119,136)(H,120,137)(H,121,135)(H,122,138)(H,124,134)(H,126,143)(H,139,140)(H,141,142)(H,144,145)(H,146,147)(H,148,149)/t88?,89?,90?,91?,92?,93?,98-,99-,100-/m0/s1
InChIKeyGGPTYJFBSNDIJM-JXSDAKDVSA-N
XLogP17.05
TPSA584.24 Ų
H-Bond Donors14
H-Bond Acceptors25
Rotatable Bonds106
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002164.90
LogP ≤ 517.05
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

20-[[4-[[(1S)-4-[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[[(5S)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-6-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid
CID 153066781
20-[[4-[(3R)-6-[2-[2-[2-[2-[2-[2-[2-[2-[(4R)-4-[2-[2-[5-[2-[2-[2-[2-[2-[[(5R,12S)-12-amino-5-carboxy-13-(1H-imidazol-5-yl)-9,9-dimethyl-8,11-dioxotridecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylcarbamoyl]-8-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-oxooctoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-carboxy-6-oxohexanoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid
CID 160819663
(2R)-2-[3-[3-[2-[2-[3-[[2-[2-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[2-[6-[2-[2-[(8S)-8-carboxy-8-(19-carboxynonadecanoylamino)-5-oxooctoxy]ethoxy]ethoxy]-2-oxohexoxy]acetyl]amino]-6-oxotridecyl]amino]-2-oxoethoxy]acetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]-4-oxotricosanedioic acid
CID 149262342
14-[[(1S)-7-[2-[2-[2-[2-[5-[2-[2-[[(5S)-5-[[(2R,9S)-9-amino-2-[4-[[2-[2-[2-[[2-[2-[5-[2-[2-[[(4S)-4-carboxy-4-(13-carboxytridecanoylamino)butanoyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]butyl]-10-(1H-imidazol-5-yl)-6,6-dimethyl-5,8-dioxodecanoyl]amino]-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-1-carboxy-4-oxoheptyl]amino]-14-oxotetradecanoic acid
CID 158686538
(2R,7S)-2-[3-[2-[2-[5-[2-[2-[[(5S,8R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-8-carboxy-12-[[2-[2-[2-[[2-[2-[(7S)-7-carboxy-7-[[(4R)-4-carboxy-16-(4-carboxyphenoxy)-6-oxohexadecanoyl]amino]-4-oxoheptoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxododecyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[11-(4-carboxyphenoxy)undecanoylamino]-4-oxooctanedioic acid
CID 159117718
(2R,7S)-2-[3-[[(5S)-5-[[(3S)-3-amino-4-(1H-imidazol-5-yl)-2-oxobutyl]amino]-7-hydroxy-6-oxoheptyl]amino]-3-oxopropyl]-7-[[2-[2-[(7S)-7-carboxy-7-(17-carboxyheptadecanoylamino)-4-oxoheptoxy]ethoxy]acetyl]amino]-4-oxooctanedioic acid
CID 147024267
18-[[(1S)-7-[2-[2-[2-[2-[(4R)-7-[[(1S)-4-[[(5S,9S,10R)-9-acetyl-5-ethyl-10-hydroxy-6-oxoundecyl]amino]-1-carboxy-4-oxobutyl]amino]-4-carboxy-2,7-dioxoheptoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-1-carboxy-4-oxoheptyl]amino]-18-oxooctadecanoic acid;(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethylheptane-2,5-dione
CID 157359880
(2S)-8-[2-[2-[2-[2-[2-[[(5R,12S)-5-acetyl-12-amino-13-(1H-imidazol-5-yl)-9,9-dimethyl-8,11-dioxotridecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid
CID 159747739
(2R,7S)-2-[3-[[(5S)-5-[[3-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-2-oxobutyl]amino]-6-oxoheptyl]amino]-3-oxopropyl]-7-[[2-[2-[5-[2-[2-[[(4S)-4-carboxy-4-(17-carboxyheptadecanoylamino)butanoyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetyl]amino]-4-oxooctanedioic acid
CID 158616976
22-[4-[(3R)-3-carboxy-6-(2-ethoxyethylamino)-6-oxohexanoyl]cyclohexyl]-20-oxodocosanoic acid;(2R)-9-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]-2-[4-(1H-imidazol-5-yl)-2-oxobutyl]-8-oxononanoic acid;molecular hydrogen
CID 158524526
(2R)-2-[3-[2-[2-[5-[2-[2-[[(5S,9S,10R)-5-[[(3S)-3-amino-4-(1H-imidazol-5-yl)-2-oxobutyl]amino]-9-carbamoyl-10-hydroxy-6-oxoundecyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxohenicosanedioic acid
CID 159098876
2-[2-(2-acetamidoethoxy)ethoxy]-N-[(5R,12S)-12-amino-13-(1H-imidazol-5-yl)-9,9-dimethyl-8,11-dioxo-5-[2-(2-oxopropylamino)acetyl]tridecyl]acetamide;(2S)-8-(2-ethoxyethoxy)-2-(octadecanoylamino)-5-oxooctanoic acid
CID 159440784

Frequently Asked Questions

What is the IUPAC name of 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid?
The IUPAC name of 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid (CID 158250215) is 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid.
What is the SMILES notation for 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid?
The canonical SMILES for 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid is CC(C)(CC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)CN[C@@H](CCCCNC(=O)CCC(=O)NCCOCCOCCCC(=O)CC[C@H](NC(=O)C1CCC(CCC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)CCC(CCCCNC(=O)CCC(=O)CCCOCCOCCNC(=O)CCC(CC(=O)C1CCC(CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)O.
What is the InChIKey of 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid?
The InChIKey is GGPTYJFBSNDIJM-JXSDAKDVSA-N. The full InChI is InChI=1S/C116H198N10O27/c1-116(2,83-103(132)98(117)82-94-85-118-87-125-94)104(133)86-123-99(45-36-38-70-120-108(137)67-68-109(138)122-72-76-153-80-77-150-73-39-43-96(128)61-63-100(115(148)149)126-112(143)91-56-49-88(50-57-91)53-60-95(127)42-31-27-23-19-15-11-7-3-5-9-13-17-21-25-29-33-47-110(139)140)101(130)64-58-92(113(144)145)41-35-37-69-119-107(136)66-62-97(129)44-40-74-151-78-79-152-75-71-121-106(135)65-59-93(114(146)147)81-102(131)90-54-51-89(52-55-90)84-124-105(134)46-32-28-24-20-16-12-8-4-6-10-14-18-22-26-30-34-48-111(141)142/h85,87-93,98-100,123H,3-84,86,117H2,1-2H3,(H,118,125)(H,119,136)(H,120,137)(H,121,135)(H,122,138)(H,124,134)(H,126,143)(H,139,140)(H,141,142)(H,144,145)(H,146,147)(H,148,149)/t88?,89?,90?,91?,92?,93?,98-,99-,100-/m0/s1.
What are the key properties of 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid?
22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid has a molecular weight of 2164.90 g/mol, XLogP of 17.05, 106 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[4-[[(1S)-7-[2-[2-[[4-[[(5S,9R)-5-[[(6S)-6-amino-7-(1H-imidazol-5-yl)-3,3-dimethyl-2,5-dioxoheptyl]amino]-9-carboxy-13-[[7-[2-[2-[[(4R)-4-carboxy-6-[4-[(19-carboxynonadecanoylamino)methyl]cyclohexyl]-6-oxohexanoyl]amino]ethoxy]ethoxy]-4-oxoheptanoyl]amino]-6-oxotridecyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]-1-carboxy-4-oxoheptyl]carbamoyl]cyclohexyl]-20-oxodocosanoic acid is sourced from PubChem (CID 158250215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).