| Properties | Image |
| MNX_ID | MNXM744962 |
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| reference | biggM:tyrcysgly |
| formula | C14H19N3O5S |
| global charge | 0 |
| mol weight | 341.389 |
| InChIKey | FQNUWOHNGJWNLM-MNOVXSKESA-N |
| InChI | InChI=1S/C14H19N3O5S/c15-10(5-8-1-3-9(18)4-2-8)13(21)17-11(7-23)14(22)16-6-12(19)20/h1-4,10-11,18,23H,5-7,15H2,(H,16,22)(H,17,21)(H,19,20)/t10-,11+/m1/s1 |
| SMILES | N[C@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H19N3O5S/c15-10(5-8-1-3-9(18)4-2-8)13(21)17-11(7-23)14(22)16-6-12(19)20/h1-4,10-11,18,23H,5-7,15H2,(H,16,22)(H,17,21)(H,19,20)/t10-,11+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:18])=[CH:4][CH:2]=[C:8]1[CH2:5][C@H:10]([C:13](=[N:17][C@@H:11]([CH2:7][SH:23])[C:14](=[N:16][CH2:6][C:12](=[O:19])[OH:20])[OH:22])[OH:21])[NH2:15] |
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