| Properties | Image |
|---|
| MNX_ID | MNXM744754 |
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| reference | biggM:ileargile |
| formula | C18H37N6O4 |
| global charge | 1 |
| mol weight | 401.532 |
| InChIKey | ATXGFMOBVKSOMK-PNKMZZHYSA-O |
| InChI | InChI=1S/C18H36N6O4/c1-5-10(3)13(19)16(26)23-12(8-7-9-22-18(20)21)15(25)24-14(17(27)28)11(4)6-2/h10-14H,5-9,19H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)(H4,20,21,22)/p+1/t10?,11?,12-,13+,14+/m0/s1 |
| SMILES | CCC(C)[C@@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C(=O)O)C(C)CC |
MNX internals
| InChI (mnx) | InChI=1/C18H36N6O4/c1-5-10(3)13(19)16(26)23-12(8-7-9-22-18(20)21)15(25)24-14(17(27)28)11(4)6-2/h10-14H,5-9,19H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)(H4,20,21,22)/t10?,11?,12-,13+,14+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:10]([CH3:3])[C@H:13]([C:16](=[N:23][C@@H:12]([CH2:8][CH2:7][CH2:9][NH:22][C:18](=[NH:20])[NH2:21])[C:15](=[N:24][C@H:14]([CH:11]([CH3:4])[CH2:6][CH3:2])[C:17](=[O:27])[OH:28])[OH:25])[OH:26])[NH2:19] |
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