| Properties | Image |
| MNX_ID | MNXM1120709 |
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| reference | chebi:158090 |
| formula | C15H24N6O5 |
| global charge | 0 |
| mol weight | 368.394 |
| InChIKey | GYXDQXPCPASCNR-NHCYSSNCSA-N |
| InChI | InChI=1S/C15H24N6O5/c1-7(2)12(14(24)20-10(15(25)26)4-11(17)22)21-13(23)9(16)3-8-5-18-6-19-8/h5-7,9-10,12H,3-4,16H2,1-2H3,(H2,17,22)(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,10-,12-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H24N6O5/c1-7(2)12(14(24)20-10(15(25)26)4-11(17)22)21-13(23)9(16)3-8-5-18-6-19-8/h5-7,9-10,12H,3-4,16H2,1-2H3,(H2,17,22)(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,10-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:7]([CH3:2])[C@@H:12]([C:14](=[N:20][C@@H:10]([CH2:4][C:11](=[NH:17])[OH:22])[C:15](=[O:25])[OH:26])[OH:24])[N:21]=[C:13]([C@H:9]([CH2:3][C:8]1=[CH:5][N:18]=[CH:6][NH:19]1)[NH2:16])[OH:23] |
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