| Properties | Image |
| MNX_ID | MNXM1121701 |
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| reference | chebi:159090 |
| formula | C15H29N3O4S |
| global charge | 0 |
| mol weight | 347.481 |
| InChIKey | PPTAQBNUFKTJKA-BJDJZHNGSA-N |
| InChI | InChI=1S/C15H29N3O4S/c1-5-9(4)12(15(21)22)18-14(20)11(7-23)17-13(19)10(16)6-8(2)3/h8-12,23H,5-7,16H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)/t9-,10-,11-,12-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H29N3O4S/c1-5-9(4)12(15(21)22)18-14(20)11(7-23)17-13(19)10(16)6-8(2)3/h8-12,23H,5-7,16H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)/t9-,10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][C@H:9]([CH3:4])[C@@H:12]([C:15](=[O:21])[OH:22])[N:18]=[C:14]([C@H:11]([CH2:7][SH:23])[N:17]=[C:13]([C@H:10]([CH2:6][CH:8]([CH3:2])[CH3:3])[NH2:16])[OH:19])[OH:20] |
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