| Properties | Image |
|---|
| MNX_ID | MNXM160715 |
 |
| reference | chebi:52891 |
| formula | C43H39N4O13S3 |
| global charge | 1 |
| mol weight | 916.001 |
| InChIKey | UFGPPUDYRGLQJT-UHFFFAOYSA-O |
| InChI | InChI=1S/C43H38N4O13S3/c1-44(28-7-13-32(14-8-28)62(53,54)55)30-11-17-34-37(25-30)59-38-26-31(45(2)29-9-15-33(16-10-29)63(56,57)58)12-18-35(38)42(34)36-5-3-4-6-39(36)61(51,52)46-23-21-27(22-24-46)43(50)60-47-40(48)19-20-41(47)49/h3-18,25-27H,19-24H2,1-2H3,(H-,53,54,55,56,57,58)/p+1 |
| SMILES | CN(C1=CC=C(S(=O)(=O)O)C=C1)C1=CC=C2C(=C1)OC1=C/C(=[N+](\C)C3=CC=C(S(=O)(=O)O)C=C3)C=CC1=C2C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)ON2C(=O)CCC2=O)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C43H38N4O13S3/c1-44(28-7-13-32(14-8-28)62(53,54)55)30-11-17-34-37(25-30)59-38-26-31(45(2)29-9-15-33(16-10-29)63(56,57)58)12-18-35(38)42(34)36-5-3-4-6-39(36)61(51,52)46-23-21-27(22-24-46)43(50)60-47-40(48)19-20-41(47)49/h3-18,25-27H,19-24H2,1-2H3,(H-,53,54,55,56,57,58) |
 |
| SMILES (mnx) | [CH3:1][N:44]([C:28]1=[CH:8][CH:14]=[C:32]([S:62](=[O:53])([OH:54])=[O:55])[CH:13]=[CH:7]1)[C:30]1=[CH:25][C:37]2=[C:34]([CH:17]=[CH:11]1)[C:42]([C:36]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:39]1[S:61]([N:46]1[CH2:23][CH2:21][CH:27]([C:43](=[O:50])[O:60][N:47]3[C:40](=[O:48])[CH2:19][CH2:20][C:41]3=[O:49])[CH2:22][CH2:24]1)(=[O:51])=[O:52])=[C:35]1[CH:18]=[CH:12][C:31]([N:45]([CH3:2])[C:29]3=[CH:10][CH:16]=[C:33]([S:63]([O-:56])(=[O:57])=[O:58])[CH:15]=[CH:9]3)=[CH:26][C:38]1=[O+:59]2 |
|