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3-[N-tert-butoxy-carbonyl-4(S)-(4-benzyloxy-2,2-dimethylbutyl)-2,2-dimethyl-1,3-oxazolidin-5(S)-yl]-2(R)-[(2-methyl)propen-3-yl]-propionic acid (N-butyl)amide

HCID 86752115
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Basic information

Standard SMILES
C=C(C)C[C@H](C[C@@H]1OC(C)(C=C=O)N(OC(C)(C)C)[C@H]1CC(C)(C)CCOCc1ccccc1)C(=O)NCCCC
InChIKey
MPWMSSXQYFCNCY-RTQFTORMSA-N
Molecular formula
C34H54N2O5
Average molar mass
570.8 g/mol

Names & identifiers

Preferred name
3-[N-tert-butoxy-carbonyl-4(S)-(4-benzyloxy-2,2-dimethylbutyl)-2,2-dimethyl-1,3-oxazolidin-5(S)-yl]-2(R)-[(2-methyl)propen-3-yl]-propionic acid (N-butyl)amide
IUPAC
(2R)-N-butyl-2-[[(4S,5S)-4-(2,2-dimethyl-4-phenylmethoxybutyl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(2-oxoethenyl)-1,3-oxazolidin-5-yl]methyl]-4-methylpent-4-enamide

Names & synonyms

MPWMSSXQYFCNCY-RTQFTORMSA-N3-[N-tert-butoxy-carbonyl-4(S)-(4-benzyloxy-2,2-dimethylbutyl)-2,2-dimethyl-1,3-oxazolidin-5(S)-yl]-2(R)-[(2-methyl)propen-3-yl]-propionic acid (N-butyl)amide

Database identifiers

PubChem CID
86752115

Properties

Computed structural properties

XLogP
7.5
Topological polar surface area
77.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
18
Heavy atoms
41
Formal charge
0
Complexity
869

Related reactions

2 records
New reaction record
HRID 863322 reaction equation
HRID 863322As reactantuspto-grants-1998_02
HRID 863331 reaction equation
HRID 863331As reactantuspto-grants-1998_02

Compound notes

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