| Properties | Image |
|---|
| MNX_ID | MNXM1124951 |
 |
| reference | chebi:162360 |
| formula | C16H25N5O4S |
| global charge | 0 |
| mol weight | 383.474 |
| InChIKey | JRQCDSNPRNGWRG-AVGNSLFASA-N |
| InChI | InChI=1S/C16H25N5O4S/c1-26-6-4-12(16(24)25)20-15(23)13(7-10-8-17-9-19-10)21-14(22)11-3-2-5-18-11/h8-9,11-13,18H,2-7H2,1H3,(H,17,19)(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H25N5O4S/c1-26-6-4-12(16(24)25)20-15(23)13(7-10-8-17-9-19-10)21-14(22)11-3-2-5-18-11/h8-9,11-13,18H,2-7H2,1H3,(H,17,19)(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:26][CH2:6][CH2:4][C@@H:12]([C:16](=[O:24])[OH:25])[N:20]=[C:15]([C@H:13]([CH2:7][C:10]1=[CH:8][N:17]=[CH:9][NH:19]1)[N:21]=[C:14]([C@@H:11]1[CH2:3][CH2:2][CH2:5][NH:18]1)[OH:22])[OH:23] |
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