173485-80-8
3-HYDROXY-L-VALINE (6-CARBOXY-4-METHOXY-1-PHENAZINYL)METHYL ESTER
Name3-HYDROXY-L-VALINE (6-CARBOXY-4-METHOXY-1-PHENAZINYL)METHYL ESTER
1Identification
【Name】
3-HYDROXY-L-VALINE (6-CARBOXY-4-METHOXY-1-PHENAZINYL)METHYL ESTER
【CAS】
【MDL】
MFCD01761569
【English Synonyms】
【Formula】
C20 H21 N3 O6
【MolWeight】
399.401
【Inchi】
InChI=1S/C20H21N3O6/c1-20(2,27)17(21)19(26)29-9-10-7-8-13(28-3)16-14(10)22-12-6-4-5-11(18(24)25)15(12)23-16/h4-8,17,27H,9,21H2,1-3H3,(H,24,25)/t17-/m1/s1
【InChIKey】
InChIKey=SFUOAUKIPVZJLK-QGZVFWFLSA-N
【SMILES】
CC(C)([C@@H](C(=O)OCc1ccc(c2c1nc3cccc(c3n2)C(=O)O)OC)N)O
【MOL File】
3-HYDROXY-L-VALINE (….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-L-VALINE (6-CARBOXY-4-METHOXY-1-PHENAZINYL)METHYL ESTER.cml