| Properties | Image |
|---|
| MNX_ID | MNXM1123725 |
 |
| reference | chebi:161127 |
| formula | C22H33N7O4S |
| global charge | 0 |
| mol weight | 491.618 |
| InChIKey | UZBQXELAFPCGRV-SZMVWBNQSA-N |
| InChI | InChI=1S/C22H33N7O4S/c1-34-10-8-15(23)19(30)29-18(11-13-12-27-16-6-3-2-5-14(13)16)20(31)28-17(21(32)33)7-4-9-26-22(24)25/h2-3,5-6,12,15,17-18,27H,4,7-11,23H2,1H3,(H,28,31)(H,29,30)(H,32,33)(H4,24,25,26)/t15-,17-,18-/m0/s1 |
| SMILES | CSCC[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/C22H33N7O4S/c1-34-10-8-15(23)19(30)29-18(11-13-12-27-16-6-3-2-5-14(13)16)20(31)28-17(21(32)33)7-4-9-26-22(24)25/h2-3,5-6,12,15,17-18,27H,4,7-11,23H2,1H3,(H,28,31)(H,29,30)(H,32,33)(H4,24,25,26)/t15-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:34][CH2:10][CH2:8][C@@H:15]([C:19](=[N:29][C@@H:18]([CH2:11][C:13]1=[CH:12][NH:27][C:16]2=[CH:6][CH:3]=[CH:2][CH:5]=[C:14]12)[C:20](=[N:28][C@@H:17]([CH2:7][CH2:4][CH2:9][NH:26][C:22](=[NH:24])[NH2:25])[C:21](=[O:32])[OH:33])[OH:31])[OH:30])[NH2:23] |
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