| Properties | Image |
|---|
| MNX_ID | MNXM169144 |
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| reference | sabiorkM:27565 |
| formula | C30H36N6O9 |
| global charge | 0 |
| mol weight | 624.651 |
| InChIKey | LKDMKWNDBAVNQZ-WJNSRDFLSA-N |
| InChI | InChI=1S/C30H36N6O9/c1-18(31-25(37)14-15-26(38)39)27(40)32-19(2)30(43)35-16-6-9-24(35)29(42)34-23(17-20-7-4-3-5-8-20)28(41)33-21-10-12-22(13-11-21)36(44)45/h3-5,7-8,10-13,18-19,23-24H,6,9,14-17H2,1-2H3,(H,31,37)(H,32,40)(H,33,41)(H,34,42)(H,38,39)/t18-,19-,23-,24-/m0/s1 |
| SMILES | C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CC1=CC=CC=C1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H36N6O9/c1-18(31-25(37)14-15-26(38)39)27(40)32-19(2)30(43)35-16-6-9-24(35)29(42)34-23(17-20-7-4-3-5-8-20)28(41)33-21-10-12-22(13-11-21)36(44)45/h3-5,7-8,10-13,18-19,23-24H,6,9,14-17H2,1-2H3,(H,31,37)(H,32,40)(H,33,41)(H,34,42)(H,38,39)/t18-,19-,23-,24-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]([C:27](=[N:32][C@@H:19]([CH3:2])[C:30]([N:35]1[CH2:16][CH2:6][CH2:9][C@H:24]1[C:29](=[N:34][C@@H:23]([CH2:17][C:20]1=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]1)[C:28]([NH:33][C:21]1=[CH:11][CH:13]=[C:22]([N+:36]([O-:44])=[O:45])[CH:12]=[CH:10]1)=[O:41])[OH:42])=[O:43])[OH:40])[N:31]=[C:25]([CH2:14][CH2:15][C:26](=[O:38])[OH:39])[OH:37] |
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