| Properties | Image |
|---|
| MNX_ID | MNXM160714 |
 |
| reference | chebi:52890 |
| formula | C43H39N4O7S |
| global charge | 1 |
| mol weight | 755.873 |
| InChIKey | WBSDPZPRGGHNEV-UHFFFAOYSA-N |
| InChI | InChI=1S/C43H39N4O7S/c1-44(30-11-5-3-6-12-30)32-17-19-34-37(27-32)53-38-28-33(45(2)31-13-7-4-8-14-31)18-20-35(38)42(34)36-15-9-10-16-39(36)55(51,52)46-25-23-29(24-26-46)43(50)54-47-40(48)21-22-41(47)49/h3-20,27-29H,21-26H2,1-2H3/q+1 |
| SMILES | CN(C1=CC=CC=C1)C1=CC=C2C(=C1)OC1=C/C(=[N+](\C)C3=CC=CC=C3)C=CC1=C2C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)ON2C(=O)CCC2=O)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C43H39N4O7S/c1-44(30-11-5-3-6-12-30)32-17-19-34-37(27-32)53-38-28-33(45(2)31-13-7-4-8-14-31)18-20-35(38)42(34)36-15-9-10-16-39(36)55(51,52)46-25-23-29(24-26-46)43(50)54-47-40(48)21-22-41(47)49/h3-20,27-29H,21-26H2,1-2H3/q+1 |
 |
| SMILES (mnx) | [CH3:1][N:44]([C:30]1=[CH:11][CH:5]=[CH:3][CH:6]=[CH:12]1)[C:32]1=[CH:27][C:37]2=[C:34]([CH:19]=[CH:17]1)[C:42]([C:36]1=[CH:15][CH:9]=[CH:10][CH:16]=[C:39]1[S:55]([N:46]1[CH2:25][CH2:23][CH:29]([C:43](=[O:50])[O:54][N:47]3[C:40](=[O:48])[CH2:21][CH2:22][C:41]3=[O:49])[CH2:24][CH2:26]1)(=[O:51])=[O:52])=[C:35]1[CH:20]=[CH:18][C:33]([N:45]([CH3:2])[C:31]3=[CH:13][CH:7]=[CH:4][CH:8]=[CH:14]3)=[CH:28][C:38]1=[O+:53]2 |
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