| Properties | Image |
| MNX_ID | MNXM1122690 |
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| reference | chebi:160084 |
| formula | C17H34N4O4S |
| global charge | 0 |
| mol weight | 390.55 |
| InChIKey | ORVFEGYUJITPGI-IHRRRGAJSA-N |
| InChI | InChI=1S/C17H34N4O4S/c1-11(2)10-14(21-15(22)12(19)6-4-5-8-18)16(23)20-13(17(24)25)7-9-26-3/h11-14H,4-10,18-19H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/t12-,13-,14-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H34N4O4S/c1-11(2)10-14(21-15(22)12(19)6-4-5-8-18)16(23)20-13(17(24)25)7-9-26-3/h11-14H,4-10,18-19H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:10][C@@H:14]([C:16](=[N:20][C@@H:13]([CH2:7][CH2:9][S:26][CH3:3])[C:17](=[O:24])[OH:25])[OH:23])[N:21]=[C:15]([C@H:12]([CH2:6][CH2:4][CH2:5][CH2:8][NH2:18])[NH2:19])[OH:22] |
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