| Properties | Image |
|---|
| MNX_ID | MNXM744624 |
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| reference | biggM:argcysser |
| formula | C12H25N6O5S |
| global charge | 1 |
| mol weight | 365.436 |
| InChIKey | JVMKBJNSRZWDBO-PRJMDXOYSA-O |
| InChI | InChI=1S/C12H24N6O5S/c13-6(2-1-3-16-12(14)15)9(20)18-8(5-24)10(21)17-7(4-19)11(22)23/h6-8,19,24H,1-5,13H2,(H,17,21)(H,18,20)(H,22,23)(H4,14,15,16)/p+1/t6-,7-,8+/m1/s1 |
| SMILES | NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CS)C(=O)N[C@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H24N6O5S/c13-6(2-1-3-16-12(14)15)9(20)18-8(5-24)10(21)17-7(4-19)11(22)23/h6-8,19,24H,1-5,13H2,(H,17,21)(H,18,20)(H,22,23)(H4,14,15,16)/t6-,7-,8+/m1/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@H:6]([C:9](=[N:18][C@@H:8]([CH2:5][SH:24])[C:10](=[N:17][C@H:7]([CH2:4][OH:19])[C:11](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:13])[CH2:3][NH:16][C:12](=[NH:14])[NH2:15] |
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