| Properties | Image |
|---|
| MNX_ID | MNXM1122047 |
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| reference | chebi:159436 |
| formula | C17H35N9O4 |
| global charge | 0 |
| mol weight | 429.526 |
| InChIKey | ISVACHFCVRKIDG-SRVKXCTJSA-N |
| InChI | InChI=1S/C17H35N9O4/c1-9(2)12(26-13(27)10(18)5-3-7-23-16(19)20)14(28)25-11(15(29)30)6-4-8-24-17(21)22/h9-12H,3-8,18H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)(H4,19,20,23)(H4,21,22,24)/t10-,11-,12-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H35N9O4/c1-9(2)12(26-13(27)10(18)5-3-7-23-16(19)20)14(28)25-11(15(29)30)6-4-8-24-17(21)22/h9-12H,3-8,18H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)(H4,19,20,23)(H4,21,22,24)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:12]([C:14](=[N:25][C@@H:11]([CH2:6][CH2:4][CH2:8][NH:24][C:17](=[NH:21])[NH2:22])[C:15](=[O:29])[OH:30])[OH:28])[N:26]=[C:13]([C@H:10]([CH2:5][CH2:3][CH2:7][NH:23][C:16](=[NH:19])[NH2:20])[NH2:18])[OH:27] |
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