| Properties | Image |
|---|
| MNX_ID | MNXM167163 |
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| reference | sabiorkM:26768 |
| formula | C33H38N8O6 |
| global charge | 0 |
| mol weight | 642.717 |
| InChIKey | UEBBUHBSHNBANC-KCHLEUMXSA-N |
| InChI | InChI=1S/C33H38N8O6/c34-33(35)36-19-7-13-26(37-24-15-17-25(18-16-24)41(46)47)29(42)39-30(43)27(21-22-9-3-1-4-10-22)38-31(44)28-14-8-20-40(28)32(45)23-11-5-2-6-12-23/h1-6,9-12,15-18,26-28,37H,7-8,13-14,19-21H2,(H,38,44)(H4,34,35,36)(H,39,42,43)/t26-,27-,28-/m0/s1 |
| SMILES | N=C(N)NCCC[C@H](NC1=CC=C([N+](=O)[O-])C=C1)C(O)=NC(=O)[C@H](CC1=CC=CC=C1)N=C(O)[C@@H]1CCCN1C(=O)C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H38N8O6/c34-33(35)36-19-7-13-26(37-24-15-17-25(18-16-24)41(46)47)29(42)39-30(43)27(21-22-9-3-1-4-10-22)38-31(44)28-14-8-20-40(28)32(45)23-11-5-2-6-12-23/h1-6,9-12,15-18,26-28,37H,7-8,13-14,19-21H2,(H,38,44)(H4,34,35,36)(H,39,42,43)/t26-,27-,28-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:9]=[C:22]([CH2:21][C@@H:27]([C:30]([N:39]=[C:29]([C@H:26]([CH2:13][CH2:7][CH2:19][NH:36][C:33](=[NH:34])[NH2:35])[NH:37][C:24]2=[CH:16][CH:18]=[C:25]([N+:41]([O-:46])=[O:47])[CH:17]=[CH:15]2)[OH:42])=[O:43])[N:38]=[C:31]([C@@H:28]2[CH2:14][CH2:8][CH2:20][N:40]2[C:32]([C:23]2=[CH:11][CH:5]=[CH:2][CH:6]=[CH:12]2)=[O:45])[OH:44])[CH:10]=[CH:4]1 |
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