Methyl 2-amino-3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)propanoate

HCID 1304
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Basic information

Standard SMILES
COC(=O)C(N)CSCC=C(C)CCC=C(C)CCC=C(C)C
InChIKey
SIEHZFPZQUNSAS-UHFFFAOYSA-N
Molecular formula
C19H33NO2S
Average molar mass
339.5 g/mol

Names & identifiers

Preferred name
Methyl 2-amino-3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)propanoate
IUPAC
methyl 2-amino-3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)propanoate

Names & synonyms

2-amino-3-(3,7,11-trimethyl-dodeca-2,6,10-trienylsulfanyl)-propionic Acid Methyl EsterSCHEMBL2880046SIEHZFPZQUNSAS-UHFFFAOYSA-Nmethyl 2-amino-3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)propanoate

Database identifiers

PubChem CID
1304

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
77.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
12
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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