85849-50-9
GLYCINAMIDE, L-ASPARAGINYL-N-(2-CARBOXY-3,3-DIMETHYL-7-OXO-4-THIA-1-AZ ABICYCLO(3.2.0)HEPT-6-YL)-D-2-(4-HYDROXYPHENYL)-, TRIHYDRATE, (2S-(2-A LPHA,5-ALPHA,6-BETA))-
NameGLYCINAMIDE, L-ASPARAGINYL-N-(2-CARBOXY-3,3-DIMETHYL-7-OXO-4-THIA-1-AZ ABICYCLO(3.2.0)HEPT-6-YL)-D-2-(4-HYDROXYPHENYL)-, TRIHYDRATE, (2S-(2-A LPHA,5-ALPHA,6-BETA))-
pro_formulaC20 H24 N4 O8 S . 3 H2 O
1Identification
【Name】
GLYCINAMIDE, L-ASPARAGINYL-N-(2-CARBOXY-3,3-DIMETHYL-7-OXO-4-THIA-1-AZ ABICYCLO(3.2.0)HEPT-6-YL)-D-2-(4-HYDROXYPHENYL)-, TRIHYDRATE, (2S-(2-A LPHA,5-ALPHA,6-BETA))-
【CAS】
【MDL】
MFCD01725023
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H24 N4 O8 S . 3 H2 O
【pro_molWeight】
534.54
【Inchi】
InChI=1S/C20H24N4O8S.3H2O/c1-20(2)14(19(31)32)24-17(30)13(18(24)33-20)22-10(7-11(26)27)16(29)23-12(15(21)28)8-3-5-9(25)6-4-8;;;/h3-6,10,12-14,18,22,25H,7H2,1-2H3,(H2,21,28)(H,23,29)(H,26,27)(H,31,32);3*1H2/t10-,12+,13+,14-,18+;;;/m0.../s1
【InChIKey】
InChIKey=WHMXDEYCQWXPHF-OJRNTVIUSA-N
【SMILES】
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N[C@@H](CC(=O)O)C(=O)N[C@H](c3ccc(cc3)O)C(=O)N)C(=O)O)C.O.O.O
【MOL File】
GLYCINAMIDE, L-ASPAR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:6
pro_acceptors:12
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
GLYCINAMIDE, L-ASPARAGINYL-N-(2-CARBOXY-3,3-DIMETHYL-7-OXO-4-THIA-1-AZ ABICYCLO(3.2.0)HEPT-6-YL)-D-2-(4-HYDROXYPHENYL)-, TRIHYDRATE, (2S-(2-A LPHA,5-ALPHA,6-BETA))-.cml