4-(4-Methoxyphenoxy)-2-methyl-1-(4-methylbenzenesulfonate) 1,2-Butanediol
Product Code
TRC-M329765
CAS Number
Product Format
Neat
Molecular Formula
C18 H31 N5 O6
Molecular Weight
413.469
Product Categories
Price and availability
Product Information
Product Data
Analyte Name
4-(4-Methoxyphenoxy)-2-methyl-1-(4-methylbenzenesulfonate) 1,2-Butanediol
CAS Number
303765-54-0
Molecular Formula
C18 H31 N5 O6
Molecular Weight
413.469
Accurate Mass
413.227
SMILES
N[C@@H](CCCCN1C[C@@H](O)[C@@H](O)C[C@@H]2N=C(NCCCCC(=O)O)N=C12)C(=O)O
InChI
InChI=1S/C18H31N5O6/c19-11(17(28)29)5-2-4-8-23-10-14(25)13(24)9-12-16(23)22-18(21-12)20-7-3-1-6-15(26)27/h11-14,24-25H,1-10,19H2,(H,20,21)(H,26,27)(H,28,29)/t11-,12-,13-,14+/m0/s1
IUPAC
(2S)-6-[(6R,7S,8aS)-2-(4-carboxybutylamino)-6,7-dihydroxy-6,7,8,8a-tetrahydro-5H-imidazo[4,5-b]azepin-4-yl]-2-aminohexanoic acid
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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