benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate

C28H36N2O6S — CID 10962466

IUPACbenzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate
SMILESCC[C@H](C)[C@@H]([C@H](O)[C@@H](SC)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C28H36N2O6S/c1-6-18(2)22(29(4)27(33)35-17-20-13-9-7-10-14-20)23(31)25(37-5)26(32)30-19(3)24(36-28(30)34)21-15-11-8-12-16-21/h7-16,18-19,22-25,31H,6,17H2,1-5H3/t18-,19+,22-,23-,24+,25+/m0/s1
InChIKeyLXQXAONIKUMTGM-FJJHSCLASA-N
MW528.67 g/mol
LogP4.87
Rot. Bonds10

About benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate

benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate (PubChem CID 10962466) has the molecular formula C28H36N2O6S and a molecular weight of 528.67 g/mol. Its IUPAC name is benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate
PubChem CID10962466
Molecular FormulaC28H36N2O6S
Molecular Weight528.67 g/mol
Exact Mass528.23
IUPAC Namebenzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate
SMILESCC[C@H](C)[C@@H]([C@H](O)[C@@H](SC)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C28H36N2O6S/c1-6-18(2)22(29(4)27(33)35-17-20-13-9-7-10-14-20)23(31)25(37-5)26(32)30-19(3)24(36-28(30)34)21-15-11-8-12-16-21/h7-16,18-19,22-25,31H,6,17H2,1-5H3/t18-,19+,22-,23-,24+,25+/m0/s1
InChIKeyLXQXAONIKUMTGM-FJJHSCLASA-N
XLogP4.87
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.67
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate with MolForge

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Launch Full Analysis

Related Compounds

(4R,5S)-3-[(2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11176533
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
(4R,5S)-3-[(2S)-2-methoxy-3-phenylmethoxypropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10981479
benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
CID 10838182
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
benzyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 67311271
(4R,5S)-3-[(2R)-2-hydroxypent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 13461729
(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11832333
(4R,5S)-4-methyl-3-[(2S)-2-phenoxypropanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 139070120
benzyl (2S)-2-[(1S)-1-azido-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 101041602
(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 69090577
(3S,5S)-5-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]heptanoic acid
CID 70989439

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate?
The IUPAC name of benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate (CID 10962466) is benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate is CC[C@H](C)[C@@H]([C@H](O)[C@@H](SC)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate?
The InChIKey is LXQXAONIKUMTGM-FJJHSCLASA-N. The full InChI is InChI=1S/C28H36N2O6S/c1-6-18(2)22(29(4)27(33)35-17-20-13-9-7-10-14-20)23(31)25(37-5)26(32)30-19(3)24(36-28(30)34)21-15-11-8-12-16-21/h7-16,18-19,22-25,31H,6,17H2,1-5H3/t18-,19+,22-,23-,24+,25+/m0/s1.
What are the key properties of benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate?
benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate has a molecular weight of 528.67 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R,3S,4S,5S)-3-hydroxy-5-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-1-oxoheptan-4-yl]-N-methylcarbamate is sourced from PubChem (CID 10962466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).