| Properties | Image |
| MNX_ID | MNXM18161 |
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| reference | metacycM:CPD-6403 |
| formula | C10H18N4O5S2 |
| global charge | 0 |
| mol weight | 338.411 |
| InChIKey | BGNRTMCCDBRFLL-WDSKDSINSA-N |
| InChI | InChI=1S/C10H18N4O5S2/c11-5(10(18)19)1-2-8(16)14-6(4-21-20)9(17)13-3-7(12)15/h5-6,20H,1-4,11H2,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t5-,6-/m0/s1 |
| SMILES | NC(=O)CNC(=O)[C@H](CSS)NC(=O)CC[C@H]([NH3+])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C10H18N4O5S2/c11-5(10(18)19)1-2-8(16)14-6(4-21-20)9(17)13-3-7(12)15/h5-6,20H,1-4,11H2,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t5-,6-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:8](=[N:14][C@@H:6]([CH2:4][S:21][SH:20])[C:9](=[N:13][CH2:3][C:7](=[NH:12])[OH:15])[OH:17])[OH:16])[C@@H:5]([C:10](=[O:18])[OH:19])[NH2:11] |
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