| Properties | Image |
| MNX_ID | MNXM1121750 |
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| reference | chebi:159139 |
| formula | C18H37N7O4 |
| global charge | 0 |
| mol weight | 415.539 |
| InChIKey | CLICCYPMVFGUOF-IHRRRGAJSA-N |
| InChI | InChI=1S/C18H37N7O4/c1-11(2)10-14(17(28)29)25-16(27)13(7-3-4-8-19)24-15(26)12(20)6-5-9-23-18(21)22/h11-14H,3-10,19-20H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H4,21,22,23)/t12-,13-,14-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H37N7O4/c1-11(2)10-14(17(28)29)25-16(27)13(7-3-4-8-19)24-15(26)12(20)6-5-9-23-18(21)22/h11-14H,3-10,19-20H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H4,21,22,23)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:10][C@@H:14]([C:17](=[O:28])[OH:29])[N:25]=[C:16]([C@H:13]([CH2:7][CH2:3][CH2:4][CH2:8][NH2:19])[N:24]=[C:15]([C@H:12]([CH2:6][CH2:5][CH2:9][NH:23][C:18](=[NH:21])[NH2:22])[NH2:20])[OH:26])[OH:27] |
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