| Properties | Image |
|---|
| MNX_ID | MNXM1123254 |
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| reference | chebi:160654 |
| formula | C15H27N3O6S |
| global charge | 0 |
| mol weight | 377.463 |
| InChIKey | LDLZOAJRXXBVGF-GMOBBJLQSA-N |
| InChI | InChI=1S/C15H27N3O6S/c1-4-8(2)12(18-13(21)9(16)7-11(19)20)14(22)17-10(15(23)24)5-6-25-3/h8-10,12H,4-7,16H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)(H,23,24)/t8-,9-,10-,12-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H27N3O6S/c1-4-8(2)12(18-13(21)9(16)7-11(19)20)14(22)17-10(15(23)24)5-6-25-3/h8-10,12H,4-7,16H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)(H,23,24)/t8-,9-,10-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][C@H:8]([CH3:2])[C@@H:12]([C:14](=[N:17][C@@H:10]([CH2:5][CH2:6][S:25][CH3:3])[C:15](=[O:23])[OH:24])[OH:22])[N:18]=[C:13]([C@H:9]([CH2:7][C:11](=[O:19])[OH:20])[NH2:16])[OH:21] |
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