| Properties | Image |
|---|
| MNX_ID | MNXM44273 |
 |
| reference | chebi:80008 |
| formula | C35H46N4O4S |
| global charge | 0 |
| mol weight | 618.844 |
| InChIKey | WVPSCZBMYQIZMS-QNRWOPMTSA-N |
| InChI | InChI=1S/C35H46N4O4S/c1-24-10-9-11-25(2)33(24)43-23-32(41)37-29(20-26-12-7-6-8-13-26)31(40)22-39-19-16-28(44-27-14-17-36-18-15-27)21-30(39)34(42)38-35(3,4)5/h6-15,17-18,28-31,40H,16,19-23H2,1-5H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1 |
| SMILES | CC1=CC=CC(C)=C1OCC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN1CC[C@@H](SC2=CC=NC=C2)C[C@H]1C(=O)NC(C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C35H46N4O4S/c1-24-10-9-11-25(2)33(24)43-23-32(41)37-29(20-26-12-7-6-8-13-26)31(40)22-39-19-16-28(44-27-14-17-36-18-15-27)21-30(39)34(42)38-35(3,4)5/h6-15,17-18,28-31,40H,16,19-23H2,1-5H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24]1=[C:33]([O:43][CH2:23][C:32](=[N:37][C@@H:29]([CH2:20][C:26]2=[CH:12][CH:7]=[CH:6][CH:8]=[CH:13]2)[C@@H:31]([CH2:22][N:39]2[CH2:19][CH2:16][C@@H:28]([S:44][C:27]3=[CH:15][CH:18]=[N:36][CH:17]=[CH:14]3)[CH2:21][C@H:30]2[C:34](=[N:38][C:35]([CH3:3])([CH3:4])[CH3:5])[OH:42])[OH:40])[OH:41])[C:25]([CH3:2])=[CH:11][CH:9]=[CH:10]1 |
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