| Properties | Image |
|---|
| MNX_ID | MNXM1121178 |
 |
| reference | chebi:158565 |
| formula | C18H23N5O5 |
| global charge | 0 |
| mol weight | 389.412 |
| InChIKey | XMIAMUXIMWREBJ-HERUPUMHSA-N |
| InChI | InChI=1S/C18H23N5O5/c1-9(19)16(25)22-13(17(26)23-14(18(27)28)7-15(20)24)6-10-8-21-12-5-3-2-4-11(10)12/h2-5,8-9,13-14,21H,6-7,19H2,1H3,(H2,20,24)(H,22,25)(H,23,26)(H,27,28)/t9-,13-,14-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H23N5O5/c1-9(19)16(25)22-13(17(26)23-14(18(27)28)7-15(20)24)6-10-8-21-12-5-3-2-4-11(10)12/h2-5,8-9,13-14,21H,6-7,19H2,1H3,(H2,20,24)(H,22,25)(H,23,26)(H,27,28)/t9-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]([C:16](=[N:22][C@@H:13]([CH2:6][C:10]1=[CH:8][NH:21][C:12]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:11]12)[C:17](=[N:23][C@@H:14]([CH2:7][C:15](=[NH:20])[OH:24])[C:18](=[O:27])[OH:28])[OH:26])[OH:25])[NH2:19] |
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