N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide

C83H120N4O19 — CID 146032752

IUPACN-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide
SMILESCCC1O[C@@H](O[C@@H]2C(CC)O[C@@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](O[C@@H]4C(CO[C@@H]5O[C@@H](C)[C@@H](C)C(C)C5C)O[C@@H](C)C(NC(C)=O)[C@@H]4OCc4ccccc4)C(NC(C)=O)C3OCc3ccccc3)C(NC(C)=O)[C@H]2C)C(NC(C)=O)C(OCc2ccccc2)[C@@H]1O[C@@H]1OC(CC)[C@@H](C)[C@H](C)C1C
InChIInChI=1S/C83H120N4O19/c1-17-63-49(7)47(5)51(9)80(99-63)104-73-65(19-3)101-82(70(86-57(15)90)77(73)94-42-61-36-28-22-29-37-61)103-72-52(10)68(84-55(13)88)81(100-64(72)18-2)105-74-66(44-92-40-59-32-24-20-25-33-59)102-83(71(87-58(16)91)78(74)95-43-62-38-30-23-31-39-62)106-75-67(45-96-79-50(8)46(4)48(6)53(11)98-79)97-54(12)69(85-56(14)89)76(75)93-41-60-34-26-21-27-35-60/h20-39,46-54,63-83H,17-19,40-45H2,1-16H3,(H,84,88)(H,85,89)(H,86,90)(H,87,91)/t46?,47-,48-,49-,50?,51?,52+,53-,54-,63?,64?,65?,66?,67?,68?,69?,70?,71?,72-,73+,74+,75+,76-,77?,78?,79+,80-,81-,82-,83-/m0/s1
InChIKeyRNSLZNOUISNFDH-VSJKHURBSA-N
MW1477.88 g/mol
LogP10.65
Rot. Bonds31

About N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide

N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide (PubChem CID 146032752) has the molecular formula C83H120N4O19 and a molecular weight of 1477.88 g/mol. Its IUPAC name is N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide
PubChem CID146032752
Molecular FormulaC83H120N4O19
Molecular Weight1477.88 g/mol
Exact Mass1476.85
IUPAC NameN-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide
SMILESCCC1O[C@@H](O[C@@H]2C(CC)O[C@@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](O[C@@H]4C(CO[C@@H]5O[C@@H](C)[C@@H](C)C(C)C5C)O[C@@H](C)C(NC(C)=O)[C@@H]4OCc4ccccc4)C(NC(C)=O)C3OCc3ccccc3)C(NC(C)=O)[C@H]2C)C(NC(C)=O)C(OCc2ccccc2)[C@@H]1O[C@@H]1OC(CC)[C@@H](C)[C@H](C)C1C
InChIInChI=1S/C83H120N4O19/c1-17-63-49(7)47(5)51(9)80(99-63)104-73-65(19-3)101-82(70(86-57(15)90)77(73)94-42-61-36-28-22-29-37-61)103-72-52(10)68(84-55(13)88)81(100-64(72)18-2)105-74-66(44-92-40-59-32-24-20-25-33-59)102-83(71(87-58(16)91)78(74)95-43-62-38-30-23-31-39-62)106-75-67(45-96-79-50(8)46(4)48(6)53(11)98-79)97-54(12)69(85-56(14)89)76(75)93-41-60-34-26-21-27-35-60/h20-39,46-54,63-83H,17-19,40-45H2,1-16H3,(H,84,88)(H,85,89)(H,86,90)(H,87,91)/t46?,47-,48-,49-,50?,51?,52+,53-,54-,63?,64?,65?,66?,67?,68?,69?,70?,71?,72-,73+,74+,75+,76-,77?,78?,79+,80-,81-,82-,83-/m0/s1
InChIKeyRNSLZNOUISNFDH-VSJKHURBSA-N
XLogP10.65
TPSA254.85 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001477.88
LogP ≤ 510.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S,4R,5R)-5-[(2R,5S)-3-acetamido-5-[(2S,4S,5S)-3-acetamido-5-[(2R,5S)-3-acetamido-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-6-ethyl-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-2-yl]oxy-6-ethyl-2,4-dimethyloxan-3-yl]acetamide
CID 146030377
N-[(3S,4R,5S,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 167040683
N-[(3R,4R,5S,6R)-2-ethoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 102583190
[(2S,4R,5R)-2-[(3R,4S,6S)-2-[[(2S,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxymethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 118551276
N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 45050683
[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 561002
[(2S,3S,5R)-2-[(3S,5S,6S)-6-[(2S,3R,5S)-2-[[(3R,5R,6R)-6-[(3S,5S,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-[(2S,4R,5R)-6-ethyl-3-[(2S,3S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxy-5-phenylmethoxyoxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 118546671
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 122699309
[(2S,3R,4R,5R,6S)-3-acetamido-5-[(2S,3R,4S,5R,6R)-3-[(2S,3S,4S,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 163018648
[5-[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-2-pent-4-enoxy-4-phenylmethoxyoxan-3-yl] acetate
CID 58627410
[(2S,4R,5R)-2-[(3R,4S,6S)-2-[[(2S,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxymethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,4R,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxymethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,4R,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxymethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 159097447
N-[(4R,5R)-2-phenoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 146030326

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide (CID 146032752) is N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide is CCC1O[C@@H](O[C@@H]2C(CC)O[C@@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](O[C@@H]4C(CO[C@@H]5O[C@@H](C)[C@@H](C)C(C)C5C)O[C@@H](C)C(NC(C)=O)[C@@H]4OCc4ccccc4)C(NC(C)=O)C3OCc3ccccc3)C(NC(C)=O)[C@H]2C)C(NC(C)=O)C(OCc2ccccc2)[C@@H]1O[C@@H]1OC(CC)[C@@H](C)[C@H](C)C1C.
What is the InChIKey of N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide?
The InChIKey is RNSLZNOUISNFDH-VSJKHURBSA-N. The full InChI is InChI=1S/C83H120N4O19/c1-17-63-49(7)47(5)51(9)80(99-63)104-73-65(19-3)101-82(70(86-57(15)90)77(73)94-42-61-36-28-22-29-37-61)103-72-52(10)68(84-55(13)88)81(100-64(72)18-2)105-74-66(44-92-40-59-32-24-20-25-33-59)102-83(71(87-58(16)91)78(74)95-43-62-38-30-23-31-39-62)106-75-67(45-96-79-50(8)46(4)48(6)53(11)98-79)97-54(12)69(85-56(14)89)76(75)93-41-60-34-26-21-27-35-60/h20-39,46-54,63-83H,17-19,40-45H2,1-16H3,(H,84,88)(H,85,89)(H,86,90)(H,87,91)/t46?,47-,48-,49-,50?,51?,52+,53-,54-,63?,64?,65?,66?,67?,68?,69?,70?,71?,72-,73+,74+,75+,76-,77?,78?,79+,80-,81-,82-,83-/m0/s1.
What are the key properties of N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide?
N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide has a molecular weight of 1477.88 g/mol, XLogP of 10.65, 31 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide is sourced from PubChem (CID 146032752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).