| Properties | Image |
|---|
| MNX_ID | MNXM1121622 |
 |
| reference | chebi:159010 |
| formula | C17H29N9O5 |
| global charge | 0 |
| mol weight | 439.477 |
| InChIKey | OCDJOVKIUJVUMO-SRVKXCTJSA-N |
| InChI | InChI=1S/C17H29N9O5/c18-10(2-1-5-23-17(20)21)14(28)26-12(6-9-7-22-8-24-9)15(29)25-11(16(30)31)3-4-13(19)27/h7-8,10-12H,1-6,18H2,(H2,19,27)(H,22,24)(H,25,29)(H,26,28)(H,30,31)(H4,20,21,23)/t10-,11-,12-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H29N9O5/c18-10(2-1-5-23-17(20)21)14(28)26-12(6-9-7-22-8-24-9)15(29)25-11(16(30)31)3-4-13(19)27/h7-8,10-12H,1-6,18H2,(H2,19,27)(H,22,24)(H,25,29)(H,26,28)(H,30,31)(H4,20,21,23)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:10]([C:14](=[N:26][C@@H:12]([CH2:6][C:9]1=[CH:7][N:22]=[CH:8][NH:24]1)[C:15](=[N:25][C@@H:11]([CH2:3][CH2:4][C:13](=[NH:19])[OH:27])[C:16](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:18])[CH2:5][NH:23][C:17](=[NH:20])[NH2:21] |
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