| Properties | Image |
|---|
| MNX_ID | MNXM1123098 |
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| reference | chebi:160498 |
| formula | C16H31N7O5S |
| global charge | 0 |
| mol weight | 433.535 |
| InChIKey | IIPHCNKHEZYSNE-DCAQKATOSA-N |
| InChI | InChI=1S/C16H31N7O5S/c1-29-8-6-9(17)13(25)22-10(3-2-7-21-16(19)20)14(26)23-11(15(27)28)4-5-12(18)24/h9-11H,2-8,17H2,1H3,(H2,18,24)(H,22,25)(H,23,26)(H,27,28)(H4,19,20,21)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H31N7O5S/c1-29-8-6-9(17)13(25)22-10(3-2-7-21-16(19)20)14(26)23-11(15(27)28)4-5-12(18)24/h9-11H,2-8,17H2,1H3,(H2,18,24)(H,22,25)(H,23,26)(H,27,28)(H4,19,20,21)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:29][CH2:8][CH2:6][C@@H:9]([C:13](=[N:22][C@@H:10]([CH2:3][CH2:2][CH2:7][NH:21][C:16](=[NH:19])[NH2:20])[C:14](=[N:23][C@@H:11]([CH2:4][CH2:5][C:12](=[NH:18])[OH:24])[C:15](=[O:27])[OH:28])[OH:26])[OH:25])[NH2:17] |
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