| Properties | Image |
|---|
| MNX_ID | MNXM40331 |
 |
| reference | chebi:2494 |
| formula | C42H45N5O5 |
| global charge | 0 |
| mol weight | 699.852 |
| InChIKey | WQGSMNQYDWWZGF-RLLMKXODSA-N |
| InChI | InChI=1S/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)42(51)47-26-12-19-35(47)40(49)45-37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-41(37)50)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)/b25-24-/t34-,35-,36-,37-,38+/m0/s1 |
| SMILES | CN(C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N/C=C\C2=CC=C(C=C2)O[C@@H]1C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)42(51)47-26-12-19-35(47)40(49)45-37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-41(37)50)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)/b25-24-/t34-,35-,36-,37-,38+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N:46]([CH3:2])[C@@H:36]([CH2:28][C:31]1=[CH:15][CH:8]=[CH:4][CH:9]=[CH:16]1)[C:42]([N:47]1[CH2:26][CH2:12][CH2:19][C@H:35]1[C:40](=[N:45][C@H:37]1[C@@H:38]([C:32]2=[CH:17][CH:10]=[CH:5][CH:11]=[CH:18]2)[O:52][C:33]2=[CH:23][CH:21]=[C:29]([CH:20]=[CH:22]2)/[CH:24]=[CH:25]\[N:43]=[C:39](\[OH:48])[C@H:34]([CH2:27][C:30]2=[CH:13][CH:6]=[CH:3][CH:7]=[CH:14]2)[N:44]=[C:41]1[OH:50])[OH:49])=[O:51] |
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