159439-02-8
AC-TYR(PO3H2)-GLU-GLU-ILE-GLU
NameAC-TYR(PO3H2)-GLU-GLU-ILE-GLU
1Identification
【Name】
AC-TYR(PO3H2)-GLU-GLU-ILE-GLU
【CAS】
【MDL】
MFCD00274005
【English Synonyms】
【Formula】
C32 H46 N5 O17 P
【MolWeight】
803.707
【Inchi】
InChI=1S/C32H46N5O17P/c1-4-16(2)27(31(48)36-22(32(49)50)11-14-26(43)44)37-29(46)21(10-13-25(41)42)34-28(45)20(9-12-24(39)40)35-30(47)23(33-17(3)38)15-18-5-7-19(8-6-18)54-55(51,52)53/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,33,38)(H,34,45)(H,35,47)(H,36,48)(H,37,46)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,20-,21-,22-,23-,27-/m0/s1
【InChIKey】
InChIKey=QQEKQSBIEKQXQS-PSCZMIBCSA-N
【SMILES】
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)NC(=O)C
【MOL File】
AC-TYR(PO3H2)-GLU-GL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:11
H bond acceptor:22
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
AC-TYR(PO3H2)-GLU-GLU-ILE-GLU.cml