[(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate

C32H35F3N6O6 — CID 90279152

IUPAC[(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate
SMILESN[C@@H](Cc1ccc(F)c(-c2ccc(F)cc2)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC2CNC(=O)O2)CO1
InChIInChI=1S/C32H35F3N6O6/c33-20-4-2-19(3-5-20)25-9-18(1-8-26(25)34)10-28(36)30(42)41-29-15-37-14-27(35)24(29)7-6-22-11-38-21(16-45-22)17-46-31(43)39-12-23-13-40-32(44)47-23/h1-5,8-9,14-15,21-23,28,38H,6-7,10-13,16-17,36H2,(H,39,43)(H,40,44)(H,41,42)/t21-,22+,23?,28-/m0/s1
InChIKeyCPXJYEVMCNDABT-DHKVNNSVSA-N
MW656.66 g/mol
LogP2.80
Rot. Bonds12

About [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate

[(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate (PubChem CID 90279152) has the molecular formula C32H35F3N6O6 and a molecular weight of 656.66 g/mol. Its IUPAC name is [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate.

Molecular Properties

Compound Name[(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate
PubChem CID90279152
Molecular FormulaC32H35F3N6O6
Molecular Weight656.66 g/mol
Exact Mass656.26
IUPAC Name[(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate
SMILESN[C@@H](Cc1ccc(F)c(-c2ccc(F)cc2)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC2CNC(=O)O2)CO1
InChIInChI=1S/C32H35F3N6O6/c33-20-4-2-19(3-5-20)25-9-18(1-8-26(25)34)10-28(36)30(42)41-29-15-37-14-27(35)24(29)7-6-22-11-38-21(16-45-22)17-46-31(43)39-12-23-13-40-32(44)47-23/h1-5,8-9,14-15,21-23,28,38H,6-7,10-13,16-17,36H2,(H,39,43)(H,40,44)(H,41,42)/t21-,22+,23?,28-/m0/s1
InChIKeyCPXJYEVMCNDABT-DHKVNNSVSA-N
XLogP2.80
TPSA165.93 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.66
LogP ≤ 52.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate with MolForge

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Related Compounds

[(2S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-2-yl]methyl N-[(4-fluorophenyl)methyl]carbamate
CID 130276298
[6-[2-[3-[[2-amino-3,3-bis(4-fluorophenyl)propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-(2,2,2-trifluoroethyl)carbamate
CID 123384212
[(3S,6R)-6-[2-[3-[[(2S,3S)-2-amino-3-(2,5-difluorophenyl)-3-(4-fluorophenyl)propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-(2,2,2-trifluoroethyl)carbamate
CID 86578001
[(3S,6R)-6-[2-[3-[[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-(2-pyrrolidin-1-ylethyl)carbamate
CID 73438293
[(3S,6R)-6-[2-[3-[[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 73438180
[(3S,6R)-6-[2-[3-[[(3S)-3-(2,5-difluorophenyl)-3-(4-fluorophenyl)propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-(2,2,2-trifluoroethyl)carbamate
CID 73438399
[(3S,6R)-6-[2-[3-[3,3-bis(4-fluorophenyl)propanoylamino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-(1,2-oxazol-5-ylmethyl)carbamate
CID 86578239
[(3S,6R)-6-[2-[3-[[(2S,3S)-2-amino-3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-(2,2,2-trifluoroethyl)carbamate
CID 86578043
[(3S,6R)-6-[2-[3-[3,3-bis(4-fluorophenyl)propanoylamino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-(1-hydroxybutan-2-yl)carbamate
CID 73437690
methyl N-[(1S,2S)-1-(3-chlorophenyl)-1-(4-fluorophenyl)-3-[[5-fluoro-4-[2-[(2R,5S)-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-2-yl]ethyl]-3-pyridinyl]amino]-3-oxopropan-2-yl]carbamate
CID 86578406
[(3S,6R)-6-[2-[3-[3,3-bis(4-fluorophenyl)propanoylamino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-(oxolan-3-yl)carbamate
CID 86578084
[(3S,6R)-6-[2-[2-[[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]amino]-6-fluorophenyl]ethyl]morpholin-3-yl]methyl N-(pyridin-3-ylmethyl)carbamate
CID 73437977

Frequently Asked Questions

What is the IUPAC name of [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate?
The IUPAC name of [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate (CID 90279152) is [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate.
What is the SMILES notation for [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate?
The canonical SMILES for [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate is N[C@@H](Cc1ccc(F)c(-c2ccc(F)cc2)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC2CNC(=O)O2)CO1.
What is the InChIKey of [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate?
The InChIKey is CPXJYEVMCNDABT-DHKVNNSVSA-N. The full InChI is InChI=1S/C32H35F3N6O6/c33-20-4-2-19(3-5-20)25-9-18(1-8-26(25)34)10-28(36)30(42)41-29-15-37-14-27(35)24(29)7-6-22-11-38-21(16-45-22)17-46-31(43)39-12-23-13-40-32(44)47-23/h1-5,8-9,14-15,21-23,28,38H,6-7,10-13,16-17,36H2,(H,39,43)(H,40,44)(H,41,42)/t21-,22+,23?,28-/m0/s1.
What are the key properties of [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate?
[(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate has a molecular weight of 656.66 g/mol, XLogP of 2.80, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-[4-fluoro-3-(4-fluorophenyl)phenyl]propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]carbamate is sourced from PubChem (CID 90279152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).