| Properties | Image |
|---|
| MNX_ID | MNXM1127602 |
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| reference | chebi:165029 |
| formula | C23H26N4O5S |
| global charge | 0 |
| mol weight | 470.551 |
| InChIKey | YWXMGBUGMLJMIP-IHPCNDPISA-N |
| InChI | InChI=1S/C23H26N4O5S/c24-17(9-13-5-7-15(28)8-6-13)21(29)27-20(12-33)22(30)26-19(23(31)32)10-14-11-25-18-4-2-1-3-16(14)18/h1-8,11,17,19-20,25,28,33H,9-10,12,24H2,(H,26,30)(H,27,29)(H,31,32)/t17-,19-,20-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H26N4O5S/c24-17(9-13-5-7-15(28)8-6-13)21(29)27-20(12-33)22(30)26-19(23(31)32)10-14-11-25-18-4-2-1-3-16(14)18/h1-8,11,17,19-20,25,28,33H,9-10,12,24H2,(H,26,30)(H,27,29)(H,31,32)/t17-,19-,20-/m0/s1 |
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| 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:23](=[O:31])[OH:32])[N:26]=[C:22]([C@H:20]([CH2:12][SH:33])[N:27]=[C:21]([C@H:17]([CH2:9][C:13]1=[CH:6][CH:8]=[C:15]([OH:28])[CH:7]=[CH:5]1)[NH2:24])[OH:29])[OH:30])=[CH:11][NH:25]2 |
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