| Properties | Image |
|---|
| MNX_ID | MNXM1125173 |
 |
| reference | chebi:162583 |
| formula | C19H27N5O7 |
| global charge | 0 |
| mol weight | 437.453 |
| InChIKey | CMBXOSFZCFGDLE-IHRRRGAJSA-N |
| InChI | InChI=1S/C19H27N5O7/c20-12(5-7-15(21)26)17(28)24-14(9-10-1-3-11(25)4-2-10)18(29)23-13(19(30)31)6-8-16(22)27/h1-4,12-14,25H,5-9,20H2,(H2,21,26)(H2,22,27)(H,23,29)(H,24,28)(H,30,31)/t12-,13-,14-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N5O7/c20-12(5-7-15(21)26)17(28)24-14(9-10-1-3-11(25)4-2-10)18(29)23-13(19(30)31)6-8-16(22)27/h1-4,12-14,25H,5-9,20H2,(H2,21,26)(H2,22,27)(H,23,29)(H,24,28)(H,30,31)/t12-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:25])=[CH:4][CH:2]=[C:10]1[CH2:9][C@@H:14]([C:18](=[N:23][C@@H:13]([CH2:6][CH2:8][C:16](=[NH:22])[OH:27])[C:19](=[O:30])[OH:31])[OH:29])[N:24]=[C:17]([C@H:12]([CH2:5][CH2:7][C:15](=[NH:21])[OH:26])[NH2:20])[OH:28] |
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