| Properties | Image |
|---|
| MNX_ID | MNXM1122822 |
 |
| reference | chebi:160218 |
| formula | C19H29N5O6 |
| global charge | 0 |
| mol weight | 423.47 |
| InChIKey | QNNBHTFDFFFHGC-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H29N5O6/c20-8-2-1-3-14(19(29)30)23-18(28)15(9-11-4-6-12(25)7-5-11)24-17(27)13(21)10-16(22)26/h4-7,13-15,25H,1-3,8-10,20-21H2,(H2,22,26)(H,23,28)(H,24,27)(H,29,30)/t13-,14-,15-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H29N5O6/c20-8-2-1-3-14(19(29)30)23-18(28)15(9-11-4-6-12(25)7-5-11)24-17(27)13(21)10-16(22)26/h4-7,13-15,25H,1-3,8-10,20-21H2,(H2,22,26)(H,23,28)(H,24,27)(H,29,30)/t13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][NH2:20])[CH2:3][C@@H:14]([C:19](=[O:29])[OH:30])[N:23]=[C:18]([C@H:15]([CH2:9][C:11]1=[CH:5][CH:7]=[C:12]([OH:25])[CH:6]=[CH:4]1)[N:24]=[C:17]([C@H:13]([CH2:10][C:16](=[NH:22])[OH:26])[NH2:21])[OH:27])[OH:28] |
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