| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM1376545 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C38H48CaN2O6 |
| charge | 0 |
| mass | 668.888 |
| reference | chebi:31740 |
| InChIKey | PMRVFZXOCRHXFE-FMEJWYFOSA-L |
| InChI | InChI=1S/2C19H25NO3.Ca/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);/q;;+2/p-2/t2*15-,16+,17-;/m00./s1 |
| SMILES | [Ca+2:47].[cH:1]1[cH:2][cH:6][c:14]([CH2:10][C@@H:17]([CH2:11][C:18]([N:20]2[CH2:12][C@@H:15]3[CH2:8][CH2:4][CH2:5][CH2:9][C@@H:16]3[CH2:13]2)=[O:21])[C:19](=[O:22])[OH:23])[cH:7][cH:3]1.[cH:24]1[cH:25][cH:29][c:37]([CH2:33][C@@H:40]([CH2:34][C:41]([N:43]2[CH2:35][C@@H:38]3[CH2:31][CH2:27][CH2:28][CH2:32][C@@H:39]3[CH2:36]2)=[O:44])[C:42](=[O:45])[OH:46])[cH:30][cH:26]1 |
|
