| Properties | Image |
| MNX_ID | MNXM1124662 |
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| reference | chebi:162067 |
| formula | C13H23N5O6S |
| global charge | 0 |
| mol weight | 377.423 |
| InChIKey | RRBLZNIIMHSHQF-FXQIFTODSA-N |
| InChI | InChI=1S/C13H23N5O6S/c14-6(1-3-9(15)19)11(21)17-7(2-4-10(16)20)12(22)18-8(5-25)13(23)24/h6-8,25H,1-5,14H2,(H2,15,19)(H2,16,20)(H,17,21)(H,18,22)(H,23,24)/t6-,7-,8-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H23N5O6S/c14-6(1-3-9(15)19)11(21)17-7(2-4-10(16)20)12(22)18-8(5-25)13(23)24/h6-8,25H,1-5,14H2,(H2,15,19)(H2,16,20)(H,17,21)(H,18,22)(H,23,24)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:3][C:9](=[NH:15])[OH:19])[C@@H:6]([C:11](=[N:17][C@@H:7]([CH2:2][CH2:4][C:10](=[NH:16])[OH:20])[C:12](=[N:18][C@@H:8]([CH2:5][SH:25])[C:13](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:14] |
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