| Properties | Image |
|---|
| MNX_ID | MNXM1197733 |
 |
| reference | envipathM:...5790482f0e92 |
| formula | C27H30N5O8 |
| global charge | -1 |
| mol weight | 552.564 |
| InChIKey | GDSCIKKMXDROGC-UHFFFAOYSA-M |
| InChI | InChI=1S/C27H31N5O8/c1-7-32(8-2)27(39)40-25-19(15(4)29-31(25)6)21(33)18-14(3)17(24(36)28-16-12-10-9-11-13-16)20(23(35)22(18)34)30(5)26(37)38/h9-13,34-35H,7-8H2,1-6H3,(H,28,36)(H,37,38)/p-1 |
| SMILES | CCN(CC)C(=O)OC1=C(C(=O)C2=C(C)C(C(=O)NC3=CC=CC=C3)=C(N(C)C(=O)[O-])C(O)=C2O)C(C)=NN1C |
MNX internals
| InChI (mnx) | InChI=1/C27H31N5O8/c1-7-32(8-2)27(39)40-25-19(15(4)29-31(25)6)21(33)18-14(3)17(24(36)28-16-12-10-9-11-13-16)20(23(35)22(18)34)30(5)26(37)38/h9-13,34-35H,7-8H2,1-6H3,(H,28,36)(H,37,38) |
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| SMILES (mnx) | [CH3:1][CH2:7][N:32]([CH2:8][CH3:2])[C:27](=[O:39])[O:40][C:25]1=[C:19]([C:21]([C:18]2=[C:22]([OH:34])[C:23]([OH:35])=[C:20]([N:30]([CH3:5])[C:26](=[O:37])[OH:38])[C:17]([C:24](=[N:28][C:16]3=[CH:12][CH:10]=[CH:9][CH:11]=[CH:13]3)[OH:36])=[C:14]2[CH3:3])=[O:33])[C:15]([CH3:4])=[N:29][N:31]1[CH3:6] |
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