59302-20-4
N-ACETYL-3-IODO-4-(4-METHOXYPHENOXY)-L-PHENYLALANINE AMIDE
NameN-ACETYL-3-IODO-4-(4-METHOXYPHENOXY)-L-PHENYLALANINE AMIDE
1Identification
【Name】
N-ACETYL-3-IODO-4-(4-METHOXYPHENOXY)-L-PHENYLALANINE AMIDE
【CAS】
【MDL】
MFCD02683242
【English Synonyms】
【Formula】
C18 H19 I N2 O4
【MolWeight】
454.258
【Inchi】
InChI=1S/C18H19IN2O4/c1-11(22)21-16(18(20)23)10-12-3-8-17(15(19)9-12)25-14-6-4-13(24-2)5-7-14/h3-9,16H,10H2,1-2H3,(H2,20,23)(H,21,22)/t16-/m0/s1
【InChIKey】
InChIKey=NAZUBNZIPYRLIN-INIZCTEOSA-N
【SMILES】
CC(=O)N[C@@H](Cc1ccc(c(c1)I)Oc2ccc(cc2)OC)C(=O)N
【MOL File】
N-ACETYL-3-IODO-4-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-ACETYL-3-IODO-4-(4-METHOXYPHENOXY)-L-PHENYLALANINE AMIDE.cml