| Properties | Image |
|---|
| MNX_ID | MNXM1122764 |
 |
| reference | chebi:160159 |
| formula | C21H30N8O5 |
| global charge | 0 |
| mol weight | 474.522 |
| InChIKey | FLJVGAFLZVBBNG-BPUTZDHNSA-N |
| InChI | InChI=1S/C21H30N8O5/c22-13(9-17(23)30)18(31)29-16(8-11-10-27-14-5-2-1-4-12(11)14)19(32)28-15(20(33)34)6-3-7-26-21(24)25/h1-2,4-5,10,13,15-16,27H,3,6-9,22H2,(H2,23,30)(H,28,32)(H,29,31)(H,33,34)(H4,24,25,26)/t13-,15-,16-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H30N8O5/c22-13(9-17(23)30)18(31)29-16(8-11-10-27-14-5-2-1-4-12(11)14)19(32)28-15(20(33)34)6-3-7-26-21(24)25/h1-2,4-5,10,13,15-16,27H,3,6-9,22H2,(H2,23,30)(H,28,32)(H,29,31)(H,33,34)(H4,24,25,26)/t13-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:14]2[C:12](=[CH:4]1)[C:11]([CH2:8][C@@H:16]([C:19](=[N:28][C@@H:15]([CH2:6][CH2:3][CH2:7][NH:26][C:21](=[NH:24])[NH2:25])[C:20](=[O:33])[OH:34])[OH:32])[N:29]=[C:18]([C@H:13]([CH2:9][C:17](=[NH:23])[OH:30])[NH2:22])[OH:31])=[CH:10][NH:27]2 |
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