Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C6H13NO2.C4H8N2O3.3C4H6NO4.Ca.H |
| Molecular Weight | 700.661 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[Ca++].CC(C)C[C@H](N)C(O)=O.N[C@@H](CC(N)=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O
InChI
InChIKey=ZMZVRVFYMDBEGP-ZFIXASFWSA-L
InChI=1S/C6H13NO2.C4H8N2O3.3C4H7NO4.Ca/c1-4(2)3-5(7)6(8)9;4*5-2(4(8)9)1-3(6)7;/h4-5H,3,7H2,1-2H3,(H,8,9);2H,1,5H2,(H2,6,7)(H,8,9);3*2H,1,5H2,(H,6,7)(H,8,9);/q;;;;;+2/p-2/t5-;4*2-;/m00000./s1
| Molecular Formula | C4H8N2O3 |
| Molecular Weight | 132.1179 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H |
| Molecular Weight | 1.0079 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C4H6NO4 |
| Molecular Weight | 132.0947 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:11:05 GMT 2023
by
admin
on
Sat Dec 16 15:11:05 GMT 2023
|
| Record UNII |
1T5XX8F05L
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
1T5XX8F05L
Created by
admin on Sat Dec 16 15:11:05 GMT 2023 , Edited by admin on Sat Dec 16 15:11:05 GMT 2023
|
PRIMARY | |||
|
138455033
Created by
admin on Sat Dec 16 15:11:05 GMT 2023 , Edited by admin on Sat Dec 16 15:11:05 GMT 2023
|
PRIMARY |