| Properties | Image |
|---|
| MNX_ID | MNXM42407 |
 |
| reference | keggD:D06557 |
| formula | C33H44ClN3O6 |
| global charge | 0 |
| mol weight | 614.183 |
| InChIKey | QNNBMSGFNQRUEH-PQQSRXGVSA-N |
| InChI | InChI=1S/C33H43N3O6.ClH/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40;/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40);1H/t28-,29-;/m1./s1 |
| SMILES | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(CC1=CC=C(OC3=CC=C(C(=O)O)C=C3)C=C1)CC2.Cl |
MNX internals
| InChI (mnx) | InChI=1/C33H43N3O6.ClH/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40;/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40);1H/t28-,29-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:19][N:36]1[C:30](=[O:38])[C@@H:28]([C@@H:29]([CH:24]2[CH2:7][CH2:5][CH2:4][CH2:6][CH2:8]2)[OH:37])[N:34]=[C:32]([OH:41])[C:33]12[CH2:17][CH2:20][N:35]([CH2:22][C:23]1=[CH:10][CH:14]=[C:26]([O:42][C:27]3=[CH:16][CH:12]=[C:25]([C:31]([OH:39])=[O:40])[CH:11]=[CH:15]3)[CH:13]=[CH:9]1)[CH2:21][CH2:18]2.[ClH:43] |
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