| Properties | Image |
|---|
| MNX_ID | MNXM1125131 |
 |
| reference | chebi:162541 |
| formula | C19H25N5O5S |
| global charge | 0 |
| mol weight | 435.506 |
| InChIKey | YADSXULAFMJZRL-QEJZJMRPSA-N |
| InChI | InChI=1S/C19H25N5O5S/c20-12(5-6-16(21)25)17(26)23-14(18(27)24-15(9-30)19(28)29)7-10-8-22-13-4-2-1-3-11(10)13/h1-4,8,12,14-15,22,30H,5-7,9,20H2,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t12-,14-,15-/m0/s1 |
| SMILES | NC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H25N5O5S/c20-12(5-6-16(21)25)17(26)23-14(18(27)24-15(9-30)19(28)29)7-10-8-22-13-4-2-1-3-11(10)13/h1-4,8,12,14-15,22,30H,5-7,9,20H2,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t12-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]2[C:11](=[CH:3]1)[C:10]([CH2:7][C@@H:14]([C:18](=[N:24][C@@H:15]([CH2:9][SH:30])[C:19](=[O:28])[OH:29])[OH:27])[N:23]=[C:17]([C@H:12]([CH2:5][CH2:6][C:16](=[NH:21])[OH:25])[NH2:20])[OH:26])=[CH:8][NH:22]2 |
|