| Properties | Image |
|---|
| MNX_ID | MNXM1182633 |
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| reference | envipathM:...afbe1cc937b0 |
| formula | C27H29ClN5O9 |
| global charge | -1 |
| mol weight | 603.008 |
| InChIKey | DVADLZAPWIKUAZ-UHFFFAOYSA-M |
| InChI | InChI=1S/C27H30ClN5O9/c1-6-32(9-10-34)27(41)42-25-21(14(3)30-31(25)5)22(36)16-7-8-18(29-4)20(13(16)2)24(38)33(26(39)40)15-11-17(28)23(37)19(35)12-15/h7-8,11-12,29,34-35,37H,6,9-10H2,1-5H3,(H,39,40)/p-1 |
| SMILES | CCN(CCO)C(=O)OC1=C(C(=O)C2=CC=C(NC)C(C(=O)N(C(=O)[O-])C3=CC(O)=C(O)C(Cl)=C3)=C2C)C(C)=NN1C |
MNX internals
| InChI (mnx) | InChI=1/C27H30ClN5O9/c1-6-32(9-10-34)27(41)42-25-21(14(3)30-31(25)5)22(36)16-7-8-18(29-4)20(13(16)2)24(38)33(26(39)40)15-11-17(28)23(37)19(35)12-15/h7-8,11-12,29,34-35,37H,6,9-10H2,1-5H3,(H,39,40) |
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| SMILES (mnx) | [CH3:1][CH2:6][N:32]([CH2:9][CH2:10][OH:34])[C:27](=[O:41])[O:42][C:25]1=[C:21]([C:22]([C:16]2=[C:13]([CH3:2])[C:20]([C:24]([N:33]([C:15]3=[CH:11][C:17]([Cl:28])=[C:23]([OH:37])[C:19]([OH:35])=[CH:12]3)[C:26](=[O:39])[OH:40])=[O:38])=[C:18]([NH:29][CH3:4])[CH:8]=[CH:7]2)=[O:36])[C:14]([CH3:3])=[N:30][N:31]1[CH3:5] |
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