| Properties | Image |
|---|
| MNX_ID | MNXM1121635 |
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| reference | chebi:159023 |
| formula | C18H33N9O4 |
| global charge | 0 |
| mol weight | 439.521 |
| InChIKey | RKQRHMKFNBYOTN-IHRRRGAJSA-N |
| InChI | InChI=1S/C18H33N9O4/c19-6-2-1-5-13(17(30)31)26-16(29)14(8-11-9-23-10-25-11)27-15(28)12(20)4-3-7-24-18(21)22/h9-10,12-14H,1-8,19-20H2,(H,23,25)(H,26,29)(H,27,28)(H,30,31)(H4,21,22,24)/t12-,13-,14-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H33N9O4/c19-6-2-1-5-13(17(30)31)26-16(29)14(8-11-9-23-10-25-11)27-15(28)12(20)4-3-7-24-18(21)22/h9-10,12-14H,1-8,19-20H2,(H,23,25)(H,26,29)(H,27,28)(H,30,31)(H4,21,22,24)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:6][NH2:19])[CH2:5][C@@H:13]([C:17](=[O:30])[OH:31])[N:26]=[C:16]([C@H:14]([CH2:8][C:11]1=[CH:9][N:23]=[CH:10][NH:25]1)[N:27]=[C:15]([C@H:12]([CH2:4][CH2:3][CH2:7][NH:24][C:18](=[NH:21])[NH2:22])[NH2:20])[OH:28])[OH:29] |
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