| Properties | Image |
| MNX_ID | MNXM1124974 |
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| reference | chebi:162384 |
| formula | C17H24N4O5S |
| global charge | 0 |
| mol weight | 396.469 |
| InChIKey | DSRVQBZAMPGEKU-AVGNSLFASA-N |
| InChI | InChI=1S/C17H24N4O5S/c18-11(6-7-14(19)22)15(23)20-12(8-10-4-2-1-3-5-10)16(24)21-13(9-27)17(25)26/h1-5,11-13,27H,6-9,18H2,(H2,19,22)(H,20,23)(H,21,24)(H,25,26)/t11-,12-,13-/m0/s1 |
| SMILES | NC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H24N4O5S/c18-11(6-7-14(19)22)15(23)20-12(8-10-4-2-1-3-5-10)16(24)21-13(9-27)17(25)26/h1-5,11-13,27H,6-9,18H2,(H2,19,22)(H,20,23)(H,21,24)(H,25,26)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]([CH2:8][C@@H:12]([C:16](=[N:21][C@@H:13]([CH2:9][SH:27])[C:17](=[O:25])[OH:26])[OH:24])[N:20]=[C:15]([C@H:11]([CH2:6][CH2:7][C:14](=[NH:19])[OH:22])[NH2:18])[OH:23])[CH:5]=[CH:3]1 |
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