53566-70-4
TYR-TYR-TYR METHYL ESTER
Name
TYR-TYR-TYR METHYL ESTER
Formula
C28 H31 N3 O7
MolWeight
521.567
1Identification
【Name】
TYR-TYR-TYR METHYL ESTER
【CAS】
【MDL】
MFCD00056682
【English Synonyms】
【Formula】
C28 H31 N3 O7
【MolWeight】
521.567
【Inchi】
InChI=1S/C28H31N3O7/c1-38-28(37)25(16-19-6-12-22(34)13-7-19)31-27(36)24(15-18-4-10-21(33)11-5-18)30-26(35)23(29)14-17-2-8-20(32)9-3-17/h2-13,23-25,32-34H,14-16,29H2,1H3,(H,30,35)(H,31,36)/t23-,24-,25-/m0/s1
【InChIKey】
InChIKey=UXCUYXDJYCOPDL-SDHOMARFSA-N
【SMILES】
COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](Cc3ccc(cc3)O)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:10
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TYR-TYR-TYR METHYL ESTER.cml
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