| Properties | Image |
|---|
| MNX_ID | MNXM1120846 |
 |
| reference | chebi:158232 |
| formula | C15H28N4O5S |
| global charge | 0 |
| mol weight | 376.479 |
| InChIKey | IPYVXYDYLHVWHU-GMOBBJLQSA-N |
| InChI | InChI=1S/C15H28N4O5S/c1-4-8(2)12(17)14(22)19-10(7-11(16)20)13(21)18-9(15(23)24)5-6-25-3/h8-10,12H,4-7,17H2,1-3H3,(H2,16,20)(H,18,21)(H,19,22)(H,23,24)/t8-,9-,10-,12-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H28N4O5S/c1-4-8(2)12(17)14(22)19-10(7-11(16)20)13(21)18-9(15(23)24)5-6-25-3/h8-10,12H,4-7,17H2,1-3H3,(H2,16,20)(H,18,21)(H,19,22)(H,23,24)/t8-,9-,10-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@H:8]([CH3:2])[C@@H:12]([C:14](=[N:19][C@@H:10]([CH2:7][C:11](=[NH:16])[OH:20])[C:13](=[N:18][C@@H:9]([CH2:5][CH2:6][S:25][CH3:3])[C:15](=[O:23])[OH:24])[OH:21])[OH:22])[NH2:17] |
|