| Properties | Image |
|---|
| MNX_ID | MNXM164370 |
 |
| reference | metacycM:CPD-18230 |
| formula | C20H38N8O6 |
| global charge | 0 |
| mol weight | 486.574 |
| InChIKey | ILDADGPBBGQETJ-OWCYQLMHSA-N |
| InChI | InChI=1S/C20H38N8O6/c1-9(2)15(18(32)33)27-16(30)10(3)25-17(31)14(22)13(21)6-4-5-12(29)7-11-8-28(20(24)34)19(23)26-11/h9-15,29H,4-8,21-22H2,1-3H3,(H2,23,26)(H2,24,34)(H,25,31)(H,27,30)(H,32,33)/t10-,11?,12+,13-,14-,15-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H]([NH3+])CCC[C@@H](O)CC1CN(C(N)=O)C(=N)N1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H38N8O6/c1-9(2)15(18(32)33)27-16(30)10(3)25-17(31)14(22)13(21)6-4-5-12(29)7-11-8-28(20(24)34)19(23)26-11/h9-15,29H,4-8,21-22H2,1-3H3,(H2,23,26)(H2,24,34)(H,25,31)(H,27,30)(H,32,33)/t10-,11?,12+,13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:15]([C:18](=[O:32])[OH:33])[N:27]=[C:16]([C@H:10]([CH3:3])[N:25]=[C:17]([C@H:14]([C@H:13]([CH2:6][CH2:4][CH2:5][C@H:12]([CH2:7][CH:11]1[CH2:8][N:28]([C:20](=[NH:24])[OH:34])[C:19](=[NH:23])[NH:26]1)[OH:29])[NH2:21])[NH2:22])[OH:31])[OH:30] |
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