| Properties | Image |
|---|
| MNX_ID | MNXM731374 |
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| reference | sabiorkM:20731 |
| formula | C31H40N11O6 |
| global charge | 1 |
| mol weight | 662.732 |
| InChIKey | HXEVGURSXJBSLI-UHFFFAOYSA-O |
| InChI | InChI=1S/C31H39N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-29(46)23-15-20(17-41(23)5)36-30(47)25-26(44)21(18-42(25)6)37-31(48)27-33-11-13-39(27)3/h11,13-18H,7-10,12H2,1-6H3,(H4-,32,34,35,36,37,43,44,45,46,47,48)/p+1 |
| SMILES | CN(C)CCCN=C(O)CCNC(=O)C1=CC(NC(=O)C2=CC(=NC(=O)C3=C(O)C(NC(=O)C4=NC=CN4C)=CN3C)C=[N+]2C)=CN1C |
MNX internals
| InChI (mnx) | InChI=1/C31H39N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-29(46)23-15-20(17-41(23)5)36-30(47)25-26(44)21(18-42(25)6)37-31(48)27-33-11-13-39(27)3/h11,13-18H,7-10,12H2,1-6H3,(H4-,32,34,35,36,37,43,44,45,46,47,48) |
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| SMILES (mnx) | [CH3:1][N:38]([CH3:2])[CH2:12][CH2:7][CH2:9][N:32]=[C:24]([CH2:8][CH2:10][NH:34][C:28]([C:22]1=[CH:14][C:19]([NH:35][C:29]([C:23]2=[CH:15][C:20](=[N:36][C:30]([C:25]3=[C:26]([O-:44])[C:21]([NH:37][C:31]([C:27]4=[N:33][CH:11]=[CH:13][N:39]4[CH3:3])=[O:48])=[CH:18][N:42]3[CH3:6])=[O:47])[CH:17]=[N+:41]2[CH3:5])=[O:46])=[CH:16][N:40]1[CH3:4])=[O:45])[OH:43] |
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