133526-79-1
N-(((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETYL)-L-VALINE ETHYL ESTER
NameN-(((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETYL)-L-VALINE ETHYL ESTER
1Identification
【Name】
N-(((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETYL)-L-VALINE ETHYL ESTER
【CAS】
【MDL】
MFCD01675353
【English Synonyms】
【Formula】
C16 H21 N5 O3 S
【MolWeight】
363.44
【Inchi】
InChI=1S/C16H21N5O3S/c1-4-24-15(23)14(11(2)3)17-13(22)10-25-16-18-19-20-21(16)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,17,22)/t14-/m0/s1
【InChIKey】
InChIKey=HTWDTLRUSPHBEA-AWEZNQCLSA-N
【SMILES】
CCOC(=O)[C@H](C(C)C)NC(=O)CSc1nnnn1c2ccccc2
【MOL File】
N-(((1-PHENYL-1H-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ACETYL)-L-VALINE ETHYL ESTER.cml