| Properties | Image |
|---|
| MNX_ID | MNXM1125370 |
 |
| reference | chebi:162782 |
| formula | C15H21N5O8 |
| global charge | 0 |
| mol weight | 399.36 |
| InChIKey | RTOOAKXIJADOLL-GUBZILKMSA-N |
| InChI | InChI=1S/C15H21N5O8/c16-8(1-2-11(21)22)13(25)19-9(4-12(23)24)14(26)20-10(15(27)28)3-7-5-17-6-18-7/h5-6,8-10H,1-4,16H2,(H,17,18)(H,19,25)(H,20,26)(H,21,22)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1 |
| SMILES | N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N5O8/c16-8(1-2-11(21)22)13(25)19-9(4-12(23)24)14(26)20-10(15(27)28)3-7-5-17-6-18-7/h5-6,8-10H,1-4,16H2,(H,17,18)(H,19,25)(H,20,26)(H,21,22)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C:11](=[O:21])[OH:22])[C@@H:8]([C:13](=[N:19][C@@H:9]([CH2:4][C:12](=[O:23])[OH:24])[C:14](=[N:20][C@@H:10]([CH2:3][C:7]1=[CH:5][N:17]=[CH:6][NH:18]1)[C:15](=[O:27])[OH:28])[OH:26])[OH:25])[NH2:16] |
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