| Properties | Image |
|---|
| MNX_ID | MNXM744679 |
 |
| reference | biggM:cysgluhis |
| formula | C14H20N5O6S |
| global charge | -1 |
| mol weight | 386.41 |
| InChIKey | UUOYKFNULIOCGJ-KXUCPTDWSA-M |
| InChI | InChI=1S/C14H21N5O6S/c15-8(5-26)12(22)18-9(1-2-11(20)21)13(23)19-10(14(24)25)3-7-4-16-6-17-7/h4,6,8-10,26H,1-3,5,15H2,(H,16,17)(H,18,22)(H,19,23)(H,20,21)(H,24,25)/p-1/t8-,9+,10-/m1/s1 |
| SMILES | N[C@H](CS)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](CC1=CNC=N1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H21N5O6S/c15-8(5-26)12(22)18-9(1-2-11(20)21)13(23)19-10(14(24)25)3-7-4-16-6-17-7/h4,6,8-10,26H,1-3,5,15H2,(H,16,17)(H,18,22)(H,19,23)(H,20,21)(H,24,25)/t8-,9+,10-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C:11](=[O:20])[OH:21])[C@@H:9]([C:13](=[N:19][C@H:10]([CH2:3][C:7]1=[CH:4][N:16]=[CH:6][NH:17]1)[C:14](=[O:24])[OH:25])[OH:23])[N:18]=[C:12]([C@@H:8]([CH2:5][SH:26])[NH2:15])[OH:22] |
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