| Properties | Image |
|---|
| MNX_ID | MNXM1126958 |
 |
| reference | chebi:164375 |
| formula | C18H23N5O4S |
| global charge | 0 |
| mol weight | 405.48 |
| InChIKey | TVTIDSMADMIHEU-KKUMJFAQSA-N |
| InChI | InChI=1S/C18H23N5O4S/c19-13(7-12-8-20-10-21-12)16(24)23-15(9-28)17(25)22-14(18(26)27)6-11-4-2-1-3-5-11/h1-5,8,10,13-15,28H,6-7,9,19H2,(H,20,21)(H,22,25)(H,23,24)(H,26,27)/t13-,14-,15-/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H23N5O4S/c19-13(7-12-8-20-10-21-12)16(24)23-15(9-28)17(25)22-14(18(26)27)6-11-4-2-1-3-5-11/h1-5,8,10,13-15,28H,6-7,9,19H2,(H,20,21)(H,22,25)(H,23,24)(H,26,27)/t13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:11]([CH2:6][C@@H:14]([C:18](=[O:26])[OH:27])[N:22]=[C:17]([C@H:15]([CH2:9][SH:28])[N:23]=[C:16]([C@H:13]([CH2:7][C:12]2=[CH:8][N:20]=[CH:10][NH:21]2)[NH2:19])[OH:24])[OH:25])[CH:5]=[CH:3]1 |
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