| Properties | Image |
|---|
| MNX_ID | MNXM1124372 |
 |
| reference | chebi:161776 |
| formula | C23H26N4O5S |
| global charge | 0 |
| mol weight | 470.551 |
| InChIKey | RIONIAPMMKVUCX-IHPCNDPISA-N |
| InChI | InChI=1S/C23H26N4O5S/c24-17(12-33)21(29)26-19(10-14-11-25-18-4-2-1-3-16(14)18)22(30)27-20(23(31)32)9-13-5-7-15(28)8-6-13/h1-8,11,17,19-20,25,28,33H,9-10,12,24H2,(H,26,29)(H,27,30)(H,31,32)/t17-,19-,20-/m0/s1 |
| SMILES | N[C@@H](CS)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H26N4O5S/c24-17(12-33)21(29)26-19(10-14-11-25-18-4-2-1-3-16(14)18)22(30)27-20(23(31)32)9-13-5-7-15(28)8-6-13/h1-8,11,17,19-20,25,28,33H,9-10,12,24H2,(H,26,29)(H,27,30)(H,31,32)/t17-,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:18]2[C:16](=[CH:3]1)[C:14]([CH2:10][C@@H:19]([C:22](=[N:27][C@@H:20]([CH2:9][C:13]1=[CH:6][CH:8]=[C:15]([OH:28])[CH:7]=[CH:5]1)[C:23](=[O:31])[OH:32])[OH:30])[N:26]=[C:21]([C@H:17]([CH2:12][SH:33])[NH2:24])[OH:29])=[CH:11][NH:25]2 |
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