| Properties | Image |
| MNX_ID | MNXM1123955 |
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| reference | chebi:161357 |
| formula | C11H17N5O4S |
| global charge | 0 |
| mol weight | 315.355 |
| InChIKey | RWAZRMXTVSIVJR-YUMQZZPRSA-N |
| InChI | InChI=1S/C11H17N5O4S/c12-7(4-21)10(18)14-3-9(17)16-8(11(19)20)1-6-2-13-5-15-6/h2,5,7-8,21H,1,3-4,12H2,(H,13,15)(H,14,18)(H,16,17)(H,19,20)/t7-,8-/m0/s1 |
| SMILES | N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H17N5O4S/c12-7(4-21)10(18)14-3-9(17)16-8(11(19)20)1-6-2-13-5-15-6/h2,5,7-8,21H,1,3-4,12H2,(H,13,15)(H,14,18)(H,16,17)(H,19,20)/t7-,8-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C:6]1=[CH:2][N:13]=[CH:5][NH:15]1)[C@@H:8]([C:11](=[O:19])[OH:20])[N:16]=[C:9]([CH2:3][N:14]=[C:10]([C@H:7]([CH2:4][SH:21])[NH2:12])[OH:18])[OH:17] |
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