| Properties | Image |
| MNX_ID | MNXM1123748 |
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| reference | chebi:161150 |
| formula | C11H19N5O6S |
| global charge | 0 |
| mol weight | 349.369 |
| InChIKey | KIQKJXYVGSYDFS-ZLUOBGJFSA-N |
| InChI | InChI=1S/C11H19N5O6S/c12-4(3-23)9(19)15-5(1-7(13)17)10(20)16-6(11(21)22)2-8(14)18/h4-6,23H,1-3,12H2,(H2,13,17)(H2,14,18)(H,15,19)(H,16,20)(H,21,22)/t4-,5-,6-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H19N5O6S/c12-4(3-23)9(19)15-5(1-7(13)17)10(20)16-6(11(21)22)2-8(14)18/h4-6,23H,1-3,12H2,(H2,13,17)(H2,14,18)(H,15,19)(H,16,20)(H,21,22)/t4-,5-,6-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:5]([C:10](=[N:16][C@@H:6]([CH2:2][C:8](=[NH:14])[OH:18])[C:11](=[O:21])[OH:22])[OH:20])[N:15]=[C:9]([C@H:4]([CH2:3][SH:23])[NH2:12])[OH:19])[C:7](=[NH:13])[OH:17] |
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