957494-13-2
Z-BETA-HOMOTRP(BOC)-OH
Name
Z-BETA-HOMOTRP(BOC)-OH
Formula
C25 H28 N2 O6
MolWeight
452.504
1Identification
【Name】
Z-BETA-HOMOTRP(BOC)-OH
【CAS】
【MDL】
MFCD06201014
【English Synonyms】
【Formula】
C25 H28 N2 O6
【MolWeight】
452.504
【Inchi】
InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-15-18(20-11-7-8-12-21(20)27)13-19(14-22(28)29)26-23(30)32-16-17-9-5-4-6-10-17/h4-12,15,19H,13-14,16H2,1-3H3,(H,26,30)(H,28,29)/t19-/m0/s1
【InChIKey】
InChIKey=XNBWRJZBFHEDMH-IBGZPJMESA-N
【SMILES】
CC(C)(C)OC(=O)n1cc(c2c1cccc2)C[C@@H](CC(=O)O)NC(=O)OCc3ccccc3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
Z-BETA-HOMOTRP(BOC)-OH.cml
Quick Release
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