| Properties | Image |
|---|
| MNX_ID | MNXM1596537 |
 |
| reference | vmhM:tazoldnoneepogth
vmhM:tazoldnoneepogth |
| formula | C29H39ClN8O8S |
| global charge | 0 |
| mol weight | 695.199 |
| InChIKey | LVMSDDOOVQUAHK-GFOXRHNOSA-N |
| InChI | InChI=1S/C29H39ClN8O8S/c30-18-3-1-4-19(15-18)36-13-11-35(12-14-36)8-2-9-38-29(46)37-10-7-22(39)25(26(37)34-38)47-17-21(27(43)32-16-24(41)42)33-23(40)6-5-20(31)28(44)45/h1,3-4,7,10,15,20-22,25,39H,2,5-6,8-9,11-14,16-17,31H2,(H,32,43)(H,33,40)(H,41,42)(H,44,45)/t20-,21-,22?,25?/m0/s1 |
| SMILES | N[C@@H](CCC(=O)N[C@@H](CSC1c2nn(CCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)n2C=CC1O)C(=O)NCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C29H39ClN8O8S/c30-18-3-1-4-19(15-18)36-13-11-35(12-14-36)8-2-9-38-29(46)37-10-7-22(39)25(26(37)34-38)47-17-21(27(43)32-16-24(41)42)33-23(40)6-5-20(31)28(44)45/h1,3-4,7,10,15,20-22,25,39H,2,5-6,8-9,11-14,16-17,31H2,(H,32,43)(H,33,40)(H,41,42)(H,44,45)/t20-,21-,22?,25?/m0/s1 |
 |
| SMILES (mnx) | [cH:1]1[cH:3][c:18]([Cl:30])[cH:15][c:19]([N:36]2[CH2:13][CH2:11][N:35]([CH2:8][CH2:2][CH2:9][n:38]3[c:29](=[O:46])[n:37]4[c:26]([n:34]3)[CH:25]([S:47][CH2:17][C@@H:21]([C:27]([NH:32][CH2:16][C:24]([OH:41])=[O:42])=[O:43])[NH:33][C:23]([CH2:6][CH2:5][C@@H:20]([C:28]([OH:44])=[O:45])[NH2:31])=[O:40])[CH:22]([OH:39])[CH:7]=[CH:10]4)[CH2:12][CH2:14]2)[cH:4]1 |
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