| Properties | Image |
|---|
| MNX_ID | MNXM1120920 |
 |
| reference | chebi:158306 |
| formula | C15H29N3O4S |
| global charge | 0 |
| mol weight | 347.481 |
| InChIKey | WTOAPTKSZJJWKK-HTFCKZLJSA-N |
| InChI | InChI=1S/C15H29N3O4S/c1-5-8(3)11(16)14(20)17-10(7-23)13(19)18-12(15(21)22)9(4)6-2/h8-12,23H,5-7,16H2,1-4H3,(H,17,20)(H,18,19)(H,21,22)/t8-,9-,10-,11-,12-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C15H29N3O4S/c1-5-8(3)11(16)14(20)17-10(7-23)13(19)18-12(15(21)22)9(4)6-2/h8-12,23H,5-7,16H2,1-4H3,(H,17,20)(H,18,19)(H,21,22)/t8-,9-,10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][C@H:8]([CH3:3])[C@@H:11]([C:14](=[N:17][C@@H:10]([CH2:7][SH:23])[C:13](=[N:18][C@@H:12]([C@@H:9]([CH3:4])[CH2:6][CH3:2])[C:15](=[O:21])[OH:22])[OH:19])[OH:20])[NH2:16] |
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