| Properties | Image |
|---|
| MNX_ID | MNXM1120794 |
 |
| reference | chebi:158177 |
| formula | C17H33N7O5 |
| global charge | 0 |
| mol weight | 415.495 |
| InChIKey | ASCFJMSGKUIRDU-ZPFDUUQYSA-N |
| InChI | InChI=1S/C17H33N7O5/c1-3-9(2)13(19)15(27)23-10(5-4-8-22-17(20)21)14(26)24-11(16(28)29)6-7-12(18)25/h9-11,13H,3-8,19H2,1-2H3,(H2,18,25)(H,23,27)(H,24,26)(H,28,29)(H4,20,21,22)/t9-,10-,11-,13-/m0/s1 |
| SMILES | CC[C@H](C)[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/C17H33N7O5/c1-3-9(2)13(19)15(27)23-10(5-4-8-22-17(20)21)14(26)24-11(16(28)29)6-7-12(18)25/h9-11,13H,3-8,19H2,1-2H3,(H2,18,25)(H,23,27)(H,24,26)(H,28,29)(H4,20,21,22)/t9-,10-,11-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:9]([CH3:2])[C@@H:13]([C:15](=[N:23][C@@H:10]([CH2:5][CH2:4][CH2:8][NH:22][C:17](=[NH:20])[NH2:21])[C:14](=[N:24][C@@H:11]([CH2:6][CH2:7][C:12](=[NH:18])[OH:25])[C:16](=[O:28])[OH:29])[OH:26])[OH:27])[NH2:19] |
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