| Properties | Image |
|---|
| MNX_ID | MNXM167880 |
 |
| reference | metacycM:CPD-18226 |
| formula | C20H38N8O7 |
| global charge | 0 |
| mol weight | 502.573 |
| InChIKey | YLQGBTCZCVMFGN-DUHXVTABSA-N |
| InChI | InChI=1S/C20H38N8O7/c1-8(2)15(18(33)34)27-16(31)9(3)25-17(32)14(22)11(21)4-5-12(29)13(30)6-10-7-28(20(24)35)19(23)26-10/h8-15,29-30H,4-7,21-22H2,1-3H3,(H2,23,26)(H2,24,35)(H,25,32)(H,27,31)(H,33,34)/t9-,10?,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+])CC[C@@H](O)[C@@H](O)CC1CN(C(N)=O)C(=N)N1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H38N8O7/c1-8(2)15(18(33)34)27-16(31)9(3)25-17(32)14(22)11(21)4-5-12(29)13(30)6-10-7-28(20(24)35)19(23)26-10/h8-15,29-30H,4-7,21-22H2,1-3H3,(H2,23,26)(H2,24,35)(H,25,32)(H,27,31)(H,33,34)/t9-,10?,11-,12+,13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[C@@H:15]([C:18](=[O:33])[OH:34])[N:27]=[C:16]([C@H:9]([CH3:3])[N:25]=[C:17]([C@H:14]([C@H:11]([CH2:4][CH2:5][C@H:12]([C@H:13]([CH2:6][CH:10]1[CH2:7][N:28]([C:20](=[NH:24])[OH:35])[C:19](=[NH:23])[NH:26]1)[OH:30])[OH:29])[NH2:21])[NH2:22])[OH:32])[OH:31] |
|