878797-09-2
(S)-3-(N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-O-T-BUTYL-L-TYROSINYL)-2,2-DIMETHYLOXAZOLIDINE-4-CARBOXYLIC ACID
Name(S)-3-(N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-O-T-BUTYL-L-TYROSINYL)-2,2-DIMETHYLOXAZOLIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
(S)-3-(N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-O-T-BUTYL-L-TYROSINYL)-2,2-DIMETHYLOXAZOLIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11974986
【English Synonyms】
【Formula】
C34 H38 N2 O7
【MolWeight】
586.681
【Inchi】
InChI=1S/C34H38N2O7/c1-33(2,3)43-22-16-14-21(15-17-22)18-28(30(37)36-29(31(38)39)20-42-34(36,4)5)35-32(40)41-19-27-25-12-8-6-10-23(25)24-11-7-9-13-26(24)27/h6-17,27-29H,18-20H2,1-5H3,(H,35,40)(H,38,39)/t28-,29-/m0/s1
【InChIKey】
InChIKey=DNJYPUYQFPFOKS-VMPREFPWSA-N
【SMILES】
CC1(N([C@@H](CO1)C(=O)O)C(=O)[C@H](Cc2ccc(cc2)OC(C)(C)C)NC(=O)OCC3c4ccccc4-c5c3cccc5)C
【MOL File】
(S)-3-(N-ALPHA-(9-FL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-3-(N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-O-T-BUTYL-L-TYROSINYL)-2,2-DIMETHYLOXAZOLIDINE-4-CARBOXYLIC ACID.cml