| Properties | Image |
| MNX_ID | MNXM1126040 |
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| reference | chebi:163454 |
| formula | C11H22N6O4S |
| global charge | 0 |
| mol weight | 334.402 |
| InChIKey | PYUCNHJQQVSPGN-BQBZGAKWSA-N |
| InChI | InChI=1S/C11H22N6O4S/c12-4-8(18)16-6(2-1-3-15-11(13)14)9(19)17-7(5-22)10(20)21/h6-7,22H,1-5,12H2,(H,16,18)(H,17,19)(H,20,21)(H4,13,14,15)/t6-,7-/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H22N6O4S/c12-4-8(18)16-6(2-1-3-15-11(13)14)9(19)17-7(5-22)10(20)21/h6-7,22H,1-5,12H2,(H,16,18)(H,17,19)(H,20,21)(H4,13,14,15)/t6-,7-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:6]([C:9](=[N:17][C@@H:7]([CH2:5][SH:22])[C:10](=[O:20])[OH:21])[OH:19])[N:16]=[C:8]([CH2:4][NH2:12])[OH:18])[CH2:3][NH:15][C:11](=[NH:13])[NH2:14] |
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