| Properties | Image |
| MNX_ID | MNXM1124628 |
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| reference | chebi:162033 |
| formula | C10H18N4O5S |
| global charge | 0 |
| mol weight | 306.344 |
| InChIKey | ALUBSZXSNSPDQV-WDSKDSINSA-N |
| InChI | InChI=1S/C10H18N4O5S/c11-5(1-2-7(12)15)9(18)14-6(4-20)10(19)13-3-8(16)17/h5-6,20H,1-4,11H2,(H2,12,15)(H,13,19)(H,14,18)(H,16,17)/t5-,6-/m0/s1 |
| SMILES | NC(=O)CC[C@H](N)C(=O)N[C@@H](CS)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C10H18N4O5S/c11-5(1-2-7(12)15)9(18)14-6(4-20)10(19)13-3-8(16)17/h5-6,20H,1-4,11H2,(H2,12,15)(H,13,19)(H,14,18)(H,16,17)/t5-,6-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:7](=[NH:12])[OH:15])[C@@H:5]([C:9](=[N:14][C@@H:6]([CH2:4][SH:20])[C:10](=[N:13][CH2:3][C:8](=[O:16])[OH:17])[OH:19])[OH:18])[NH2:11] |
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