| Properties | Image |
|---|
| MNX_ID | MNXM1172196 |
 |
| reference | envipathM:...b02d4064a3dd |
| formula | C21H26N5O7 |
| global charge | -1 |
| mol weight | 460.467 |
| InChIKey | FPOQCFVOIBEMNO-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H27N5O7/c1-6-26(7-2)21(32)33-19-16(13(10-27)23-25(19)5)17(28)12-8-9-14(24(4)20(30)31)15(11(12)3)18(22)29/h8-9,27H,6-7,10H2,1-5H3,(H2,22,29)(H,30,31)/p-1 |
| SMILES | CCN(CC)C(=O)OC1=C(C(=O)C2=CC=C(N(C)C(=O)[O-])C(C(N)=O)=C2C)C(CO)=NN1C |
MNX internals
| InChI (mnx) | InChI=1/C21H27N5O7/c1-6-26(7-2)21(32)33-19-16(13(10-27)23-25(19)5)17(28)12-8-9-14(24(4)20(30)31)15(11(12)3)18(22)29/h8-9,27H,6-7,10H2,1-5H3,(H2,22,29)(H,30,31) |
 |
| SMILES (mnx) | [CH3:1][CH2:6][N:26]([CH2:7][CH3:2])[C:21](=[O:32])[O:33][C:19]1=[C:16]([C:17]([C:12]2=[C:11]([CH3:3])[C:15]([C:18](=[NH:22])[OH:29])=[C:14]([N:24]([CH3:4])[C:20](=[O:30])[OH:31])[CH:9]=[CH:8]2)=[O:28])[C:13]([CH2:10][OH:27])=[N:23][N:25]1[CH3:5] |
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