| Properties | Image |
|---|
| MNX_ID | MNXM7361 |
 |
| reference | metacycM:CPD-17232 |
| formula | C30H37N5O12 |
| global charge | -2 |
| mol weight | 659.649 |
| InChIKey | ZWLGIEIJZFQVEE-HJOGWXRNSA-L |
| InChI | InChI=1S/C30H39N5O12/c31-22(28(40)41)5-8-26(38)34-24(30(44)45)7-10-27(39)35-23(29(42)43)6-9-25(37)33-12-11-18-1-3-20(4-2-18)46-15-19-13-21(47-16-19)14-32-17-36/h1-4,13,16-17,22-24H,5-12,14-15,31H2,(H,32,36)(H,33,37)(H,34,38)(H,35,39)(H,40,41)(H,42,43)(H,44,45)/p-2/t22-,23-,24-/m0/s1 |
| SMILES | [NH3+][C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCC1=CC=C(OCC2=COC(CNC=O)=C2)C=C1)C(=O)[O-])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C30H39N5O12/c31-22(28(40)41)5-8-26(38)34-24(30(44)45)7-10-27(39)35-23(29(42)43)6-9-25(37)33-12-11-18-1-3-20(4-2-18)46-15-19-13-21(47-16-19)14-32-17-36/h1-4,13,16-17,22-24H,5-12,14-15,31H2,(H,32,36)(H,33,37)(H,34,38)(H,35,39)(H,40,41)(H,42,43)(H,44,45)/t22-,23-,24-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:20]([O:46][CH2:15][C:19]2=[CH:16][O:47][C:21]([CH2:14][N:32]=[CH:17][OH:36])=[CH:13]2)=[CH:4][CH:2]=[C:18]1[CH2:11][CH2:12][N:33]=[C:25]([CH2:9][CH2:6][C@@H:23]([C:29](=[O:42])[OH:43])[N:35]=[C:27]([CH2:10][CH2:7][C@@H:24]([C:30](=[O:44])[OH:45])[N:34]=[C:26]([CH2:8][CH2:5][C@@H:22]([C:28](=[O:40])[OH:41])[NH2:31])[OH:38])[OH:39])[OH:37] |
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