| Properties | Image |
|---|
| MNX_ID | MNXM1121074 |
 |
| reference | chebi:158461 |
| formula | C17H27N5O6 |
| global charge | 0 |
| mol weight | 397.432 |
| InChIKey | YKLOMBNBQUTJDT-HVTMNAMFSA-N |
| InChI | InChI=1S/C17H27N5O6/c1-3-9(2)14(18)16(26)22-12(6-10-7-19-8-20-10)15(25)21-11(17(27)28)4-5-13(23)24/h7-9,11-12,14H,3-6,18H2,1-2H3,(H,19,20)(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t9-,11-,12-,14-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H27N5O6/c1-3-9(2)14(18)16(26)22-12(6-10-7-19-8-20-10)15(25)21-11(17(27)28)4-5-13(23)24/h7-9,11-12,14H,3-6,18H2,1-2H3,(H,19,20)(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t9-,11-,12-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:9]([CH3:2])[C@@H:14]([C:16](=[N:22][C@@H:12]([CH2:6][C:10]1=[CH:7][N:19]=[CH:8][NH:20]1)[C:15](=[N:21][C@@H:11]([CH2:4][CH2:5][C:13](=[O:23])[OH:24])[C:17](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:18] |
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