| Properties | Image |
|---|
| MNX_ID | MNXM104880 |
 |
| reference | chebi:69164 |
| formula | C32H41N5O6 |
| global charge | 0 |
| mol weight | 591.709 |
| InChIKey | MWQUPAZWQQWEPK-FADZAQNWSA-N |
| InChI | InChI=1S/C32H41N5O6/c1-20(2)27(35-29(38)21(3)37(4,5)42)32(41)36-18-16-26-28(36)31(40)34-25(19-23-9-7-6-8-10-23)30(39)33-17-15-22-11-13-24(43-26)14-12-22/h6-15,17,20-21,25-28H,16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/b17-15-/t21-,25+,26+,27+,28+/m1/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](C)[N+](C)(C)[O-])C(=O)N1CC[C@@H]2OC3=CC=C(C=C3)/C=C\NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C32H41N5O6/c1-20(2)27(35-29(38)21(3)37(4,5)42)32(41)36-18-16-26-28(36)31(40)34-25(19-23-9-7-6-8-10-23)30(39)33-17-15-22-11-13-24(43-26)14-12-22/h6-15,17,20-21,25-28H,16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/b17-15-/t21-,25+,26+,27+,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[C@@H:27]([C:32]([N:36]1[CH2:18][CH2:16][C@H:26]2[C@H:28]1[C:31]([OH:40])=[N:34][C@@H:25]([CH2:19][C:23]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)/[C:30]([OH:39])=[N:33]\[CH:17]=[CH:15]/[C:22]1=[CH:11][CH:13]=[C:24]([CH:14]=[CH:12]1)[O:43]2)=[O:41])[N:35]=[C:29]([C@@H:21]([CH3:3])[N+:37]([CH3:4])([CH3:5])[O-:42])[OH:38] |
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