| Properties | Image |
|---|
| MNX_ID | MNXM1122777 |
 |
| reference | chebi:160172 |
| formula | C20H32N4O5S |
| global charge | 0 |
| mol weight | 440.566 |
| InChIKey | MTBBHUKKPWKXBT-ULQDDVLXSA-N |
| InChI | InChI=1S/C20H32N4O5S/c1-30-11-9-16(23-18(26)15(22)4-2-3-10-21)19(27)24-17(20(28)29)12-13-5-7-14(25)8-6-13/h5-8,15-17,25H,2-4,9-12,21-22H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t15-,16-,17-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32N4O5S/c1-30-11-9-16(23-18(26)15(22)4-2-3-10-21)19(27)24-17(20(28)29)12-13-5-7-14(25)8-6-13/h5-8,15-17,25H,2-4,9-12,21-22H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:30][CH2:11][CH2:9][C@@H:16]([C:19](=[N:24][C@@H:17]([CH2:12][C:13]1=[CH:6][CH:8]=[C:14]([OH:25])[CH:7]=[CH:5]1)[C:20](=[O:28])[OH:29])[OH:27])[N:23]=[C:18]([C@H:15]([CH2:4][CH2:2][CH2:3][CH2:10][NH2:21])[NH2:22])[OH:26] |
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