| Properties | Image |
|---|
| MNX_ID | MNXM45382 |
 |
| reference | keggD:D03351 |
| formula | C26H41Cl5N5O10PS |
| global charge | 0 |
| mol weight | 823.945 |
| InChIKey | NECZZOFFLFZNHL-XVGZVFJZSA-N |
| InChI | InChI=1S/C26H40Cl4N5O10PS.ClH/c27-8-12-34(13-9-28)46(42,35(14-10-29)15-11-30)45-16-17-47(43,44)18-21(32-22(36)7-6-20(31)25(38)39)24(37)33-23(26(40)41)19-4-2-1-3-5-19;/h1-5,20-21,23H,6-18,31H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41);1H/t20-,21-,23+;/m0./s1 |
| SMILES | Cl.N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(=O)O)C1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H40Cl4N5O10PS.ClH/c27-8-12-34(13-9-28)46(42,35(14-10-29)15-11-30)45-16-17-47(43,44)18-21(32-22(36)7-6-20(31)25(38)39)24(37)33-23(26(40)41)19-4-2-1-3-5-19;/h1-5,20-21,23H,6-18,31H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41);1H/t20-,21-,23+;/m0./s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:19]([C@H:23]([C:26](=[O:40])[OH:41])[N:33]=[C:24]([C@H:21]([CH2:18][S:47]([CH2:17][CH2:16][O:45][P:46]([N:34]([CH2:12][CH2:8][Cl:27])[CH2:13][CH2:9][Cl:28])([N:35]([CH2:14][CH2:10][Cl:29])[CH2:15][CH2:11][Cl:30])=[O:42])(=[O:43])=[O:44])[N:32]=[C:22]([CH2:7][CH2:6][C@@H:20]([C:25](=[O:38])[OH:39])[NH2:31])[OH:36])[OH:37])[CH:5]=[CH:3]1.[ClH:48] |
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