| Properties | Image |
|---|
| MNX_ID | MNXM1120991 |
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| reference | chebi:158378 |
| formula | C14H25N3O6S |
| global charge | 0 |
| mol weight | 363.436 |
| InChIKey | QRTVJGKXFSYJGW-KBIXCLLPSA-N |
| InChI | InChI=1S/C14H25N3O6S/c1-3-7(2)11(15)13(21)16-8(4-5-10(18)19)12(20)17-9(6-24)14(22)23/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t7-,8-,9-,11-/m0/s1 |
| SMILES | CC[C@H](C)[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/C14H25N3O6S/c1-3-7(2)11(15)13(21)16-8(4-5-10(18)19)12(20)17-9(6-24)14(22)23/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t7-,8-,9-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:7]([CH3:2])[C@@H:11]([C:13](=[N:16][C@@H:8]([CH2:4][CH2:5][C:10](=[O:18])[OH:19])[C:12](=[N:17][C@@H:9]([CH2:6][SH:24])[C:14](=[O:22])[OH:23])[OH:20])[OH:21])[NH2:15] |
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