| Properties | Image |
|---|
| MNX_ID | MNXM162008 |
 |
| reference | keggD:D09982 |
| formula | C30H42ClFN4O5 |
| global charge | 0 |
| mol weight | 593.14 |
| InChIKey | ZWIXEQBDJMFCMN-DHHNQDMHSA-N |
| InChI | InChI=1S/C30H39FN4O4.ClH.H2O/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19;;/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36);1H;1H2/t19-,20-,25-,27+;;/m1../s1 |
| SMILES | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)NCCCC2=C(C=CC=C2)O1.Cl.O |
MNX internals
| InChI (mnx) | InChI=1/C30H39FN4O4.ClH.H2O/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19;;/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36);1H;1H2/t19-,20-,25-,27+;;/m1../s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:19]1[CH2:18][NH:33][C@@H:27]([CH:23]2[CH2:12][CH2:13]2)[C:30](=[O:38])[N:35]([CH3:3])[C@H:20]([CH3:2])[C:28]([OH:36])=[N:34][C@H:25]([CH2:17][C:21]2=[CH:11][CH:15]=[C:24]([F:31])[CH:14]=[CH:10]2)[C:29]([OH:37])=[N:32][CH2:16][CH2:6][CH2:8][C:22]2=[CH:7][CH:4]=[CH:5][CH:9]=[C:26]2[O:39]1.[ClH:40].[OH2:41] |
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