204199-26-8
BOC-(3S,4S,5S)-4-AMINO-3-HYDROXY-5-METHYL-HEPTANOIC ACID DCHA
NameBOC-(3S,4S,5S)-4-AMINO-3-HYDROXY-5-METHYL-HEPTANOIC ACID DCHA
FormulaC13 H25 N O5 . C12 H23 N
1Identification
【Name】
BOC-(3S,4S,5S)-4-AMINO-3-HYDROXY-5-METHYL-HEPTANOIC ACID DCHA
【CAS】
【MDL】
MFCD00800350
【English Synonyms】
【Formula】
C13 H25 N O5 . C12 H23 N
【MolWeight】
456.663
【Inchi】
InChI=1S/C13H25NO5.C12H23N/c1-6-8(2)11(9(15)7-10(16)17)14-12(18)19-13(3,4)5;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-9,11,15H,6-7H2,1-5H3,(H,14,18)(H,16,17);11-13H,1-10H2/t8-,9-,11-;/m0./s1
【InChIKey】
InChIKey=YGVVBGRWCYJGSZ-GRIHUTHFSA-N
【SMILES】
CC[C@H](C)[C@@H]([C@H](CC(=O)O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
【MOL File】
BOC-(3S,4S,5S)-4-AMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BOC-(3S,4S,5S)-4-AMINO-3-HYDROXY-5-METHYL-HEPTANOIC ACID DCHA.cml