| Properties | Image |
| MNX_ID | MNXM1121540 |
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| reference | chebi:158928 |
| formula | C14H26N6O6S |
| global charge | 0 |
| mol weight | 406.465 |
| InChIKey | NYZGVTGOMPHSJW-CIUDSAMLSA-N |
| InChI | InChI=1S/C14H26N6O6S/c15-7(2-1-5-18-14(16)17)11(23)19-8(3-4-10(21)22)12(24)20-9(6-27)13(25)26/h7-9,27H,1-6,15H2,(H,19,23)(H,20,24)(H,21,22)(H,25,26)(H4,16,17,18)/t7-,8-,9-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H26N6O6S/c15-7(2-1-5-18-14(16)17)11(23)19-8(3-4-10(21)22)12(24)20-9(6-27)13(25)26/h7-9,27H,1-6,15H2,(H,19,23)(H,20,24)(H,21,22)(H,25,26)(H4,16,17,18)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:7]([C:11](=[N:19][C@@H:8]([CH2:3][CH2:4][C:10](=[O:21])[OH:22])[C:12](=[N:20][C@@H:9]([CH2:6][SH:27])[C:13](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:15])[CH2:5][NH:18][C:14](=[NH:16])[NH2:17] |
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