| Properties | Image |
|---|
| MNX_ID | MNXM1122966 |
 |
| reference | chebi:160364 |
| formula | C20H29N5O5 |
| global charge | 0 |
| mol weight | 419.482 |
| InChIKey | GVKINWYYLOLEFQ-XIRDDKMYSA-N |
| InChI | InChI=1S/C20H29N5O5/c21-8-4-3-6-14(22)18(27)24-16(19(28)25-17(11-26)20(29)30)9-12-10-23-15-7-2-1-5-13(12)15/h1-2,5,7,10,14,16-17,23,26H,3-4,6,8-9,11,21-22H2,(H,24,27)(H,25,28)(H,29,30)/t14-,16-,17-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H29N5O5/c21-8-4-3-6-14(22)18(27)24-16(19(28)25-17(11-26)20(29)30)9-12-10-23-15-7-2-1-5-13(12)15/h1-2,5,7,10,14,16-17,23,26H,3-4,6,8-9,11,21-22H2,(H,24,27)(H,25,28)(H,29,30)/t14-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:15]2[C:13](=[CH:5]1)[C:12]([CH2:9][C@@H:16]([C:19](=[N:25][C@@H:17]([CH2:11][OH:26])[C:20](=[O:29])[OH:30])[OH:28])[N:24]=[C:18]([C@H:14]([CH2:6][CH2:3][CH2:4][CH2:8][NH2:21])[NH2:22])[OH:27])=[CH:10][NH:23]2 |
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