(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide

C63H108N8O17P2S — CID 161305678

IUPAC(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide
SMILES[H]P=P(O)(O)C[C@H](C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CS)Cc1cncn1CCCCCCCCc1ccccc1)C(N)=O
InChIInChI=1S/C63H108N8O17P2S/c1-47(2)39-55(69-63(78)56-18-14-22-71(56)59(74)19-23-81-25-27-83-29-31-85-33-35-87-37-38-88-36-34-86-32-30-84-28-26-82-24-20-67-62(77)54(64)45-91)58(73)41-51(61(76)68-49(4)57(72)42-53(60(65)75)48(3)44-90(79,80)89)40-52-43-66-46-70(52)21-13-8-6-5-7-10-15-50-16-11-9-12-17-50/h9,11-12,16-17,43,46-49,51,53-56,79-80,89,91H,5-8,10,13-15,18-42,44-45,64H2,1-4H3,(H2,65,75)(H,67,77)(H,68,76)(H,69,78)/t48-,49-,51+,53-,54-,55-,56-/m0/s1
InChIKeyVIFFLJZTFFSMQU-HHCFAWPXSA-N
MW1343.61 g/mol
LogP4.09
Rot. Bonds56

About (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide

(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide (PubChem CID 161305678) has the molecular formula C63H108N8O17P2S and a molecular weight of 1343.61 g/mol. Its IUPAC name is (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide
PubChem CID161305678
Molecular FormulaC63H108N8O17P2S
Molecular Weight1343.61 g/mol
Exact Mass1342.70
IUPAC Name(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide
SMILES[H]P=P(O)(O)C[C@H](C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CS)Cc1cncn1CCCCCCCCc1ccccc1)C(N)=O
InChIInChI=1S/C63H108N8O17P2S/c1-47(2)39-55(69-63(78)56-18-14-22-71(56)59(74)19-23-81-25-27-83-29-31-85-33-35-87-37-38-88-36-34-86-32-30-84-28-26-82-24-20-67-62(77)54(64)45-91)58(73)41-51(61(76)68-49(4)57(72)42-53(60(65)75)48(3)44-90(79,80)89)40-52-43-66-46-70(52)21-13-8-6-5-7-10-15-50-16-11-9-12-17-50/h9,11-12,16-17,43,46-49,51,53-56,79-80,89,91H,5-8,10,13-15,18-42,44-45,64H2,1-4H3,(H2,65,75)(H,67,77)(H,68,76)(H,69,78)/t48-,49-,51+,53-,54-,55-,56-/m0/s1
InChIKeyVIFFLJZTFFSMQU-HHCFAWPXSA-N
XLogP4.09
TPSA342.98 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds56
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.61
LogP ≤ 54.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid;[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-2-methyl-5-oxoheptyl]phosphonic acid
CID 160571940
[(2R,3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[3-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-(9-phenylnonyl)imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutan-2-yl] dihydrogen phosphate
CID 90166724
[(2R,3S,6S)-3-acetyl-7-hydroxy-6-[[(2R,5S)-5-[[(2S)-1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(4-phenylbutyl)imidazol-4-yl]methyl]octanoyl]amino]-5-oxoheptan-2-yl] dihydrogen phosphate
CID 160691257
[(2R,3S,6S)-3-acetyl-6-[[(2R,5S)-5-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-7-hydroxy-5-oxoheptan-2-yl] dihydrogen phosphate
CID 153185349
[(2R,3S,6S)-3-carbamoyl-6-[[(2R,5S)-2-[(3-ethylimidazol-4-yl)methyl]-5-[[(2S)-1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-7-hydroxy-5-oxoheptan-2-yl] dihydrogen phosphate
CID 158717558
3-aminopropyl [(2R,3S,6S)-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-2-(1H-imidazol-5-ylmethyl)-7-methyl-4-oxooctanoyl]amino]-3-carbamoyl-7-hydroxy-5-oxoheptan-2-yl] hydrogen phosphate
CID 159046028
[(2R,3S,6S)-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-2-(1H-imidazol-5-ylmethyl)-7-methyl-4-oxooctanoyl]amino]-3-carbamoyl-7-hydroxy-5-oxoheptan-2-yl] 2-thiophen-2-ylethyl hydrogen phosphate
CID 159046029
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-(6-phenylhexyl)imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
CID 66694276
3-aminopropyl [(2R,3S,6S)-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-2-(1H-imidazol-5-ylmethyl)-7-methyl-4-oxooctanoyl]amino]-3-carbamoyl-7-hydroxy-5-oxoheptan-2-yl] hydrogen phosphate;[(2R,3S,6S)-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-2-(1H-imidazol-5-ylmethyl)-7-methyl-4-oxooctanoyl]amino]-3-carbamoyl-7-hydroxy-5-oxoheptan-2-yl] propyl hydrogen phosphate;[(2R,3S,6S)-6-[[(2R,5S)-5-[[(2S)-1-[3-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carbonyl]amino]-2-(1H-imidazol-5-ylmethyl)-7-methyl-4-oxooctanoyl]amino]-3-carbamoyl-7-hydroxy-5-oxoheptan-2-yl] 2-thiophen-2-ylethyl hydrogen phosphate;butyl [(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-5-oxoheptan-2-yl] hydrogen phosphate;[(2R,3S,6S)-3-carbamoyl-7-hydroxy-6-[[(2R,5S)-2-(1H-imidazol-5-ylmethyl)-5-[[(2S)-1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carbonyl]amino]-7-methyl-4-oxooctanoyl]amino]-5-oxoheptan-2-yl] 2-thiophen-2-ylethyl hydrogen phosphate
CID 159046025
[(2R,3S,6S)-6-[[(2R,5S)-5-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-7-methyl-2-[[1-methyl-3-(8-phenyloctyl)imidazol-1-ium-4-yl]methyl]-4-oxooctanoyl]amino]-7-hydroxy-3-(methylcarbamoyl)-5-oxoheptan-2-yl] dihydrogen phosphate;methane
CID 158390382
[4-amino-3-[[3-hydroxy-2-[[2-[[2-[[1-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-4,5-didehydro-3,6-dihydro-2H-pyridine-6-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-(8-phenyloctyl)imidazol-4-yl]propanoyl]amino]propanoyl]amino]-2-methyl-4-oxobutyl]phosphonic acid
CID 123458082
[(2R,3S,6S)-3-acetyl-6-[[(2R,5S)-5-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-7-methyl-4-oxo-2-[[3-(2-phenyloctyl)imidazol-4-yl]methyl]octanoyl]amino]-7-hydroxy-5-oxoheptan-2-yl] dihydrogen phosphate
CID 158646765

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide (CID 161305678) is (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide is [H]P=P(O)(O)C[C@H](C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](N)CS)Cc1cncn1CCCCCCCCc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is VIFFLJZTFFSMQU-HHCFAWPXSA-N. The full InChI is InChI=1S/C63H108N8O17P2S/c1-47(2)39-55(69-63(78)56-18-14-22-71(56)59(74)19-23-81-25-27-83-29-31-85-33-35-87-37-38-88-36-34-86-32-30-84-28-26-82-24-20-67-62(77)54(64)45-91)58(73)41-51(61(76)68-49(4)57(72)42-53(60(65)75)48(3)44-90(79,80)89)40-52-43-66-46-70(52)21-13-8-6-5-7-10-15-50-16-11-9-12-17-50/h9,11-12,16-17,43,46-49,51,53-56,79-80,89,91H,5-8,10,13-15,18-42,44-45,64H2,1-4H3,(H2,65,75)(H,67,77)(H,68,76)(H,69,78)/t48-,49-,51+,53-,54-,55-,56-/m0/s1.
What are the key properties of (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide?
(2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 1343.61 g/mol, XLogP of 4.09, 56 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[(4S,7R)-8-[[(2S,5S,6R)-5-carbamoyl-7-[dihydroxy(phosphanylidene)-λ5-phosphanyl]-6-methyl-3-oxoheptan-2-yl]amino]-2-methyl-5,8-dioxo-7-[[3-(8-phenyloctyl)imidazol-4-yl]methyl]octan-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 161305678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).