| Properties | Image |
|---|
| MNX_ID | MNXM105468 |
 |
| reference | chebi:69617 |
| formula | C31H46N4O9 |
| global charge | 0 |
| mol weight | 618.728 |
| InChIKey | HLYUQLKTDIGSLM-SSVGBVEASA-N |
| InChI | InChI=1S/C31H46N4O9/c1-17(2)15-23-28(39)35(9)22(16-21-13-11-10-12-14-21)25(36)32-18(3)27(38)34(8)20(5)30(41)44-24(31(6,7)42)26(37)33-19(4)29(40)43-23/h10-14,17-20,22-24,42H,15-16H2,1-9H3,(H,32,36)(H,33,37)/t18-,19+,20+,22-,23+,24-/m1/s1 |
| SMILES | CC(C)C[C@@H]1OC(=O)[C@H](C)NC(=O)[C@H](C(C)(C)O)OC(=O)[C@H](C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](CC2=CC=CC=C2)N(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C31H46N4O9/c1-17(2)15-23-28(39)35(9)22(16-21-13-11-10-12-14-21)25(36)32-18(3)27(38)34(8)20(5)30(41)44-24(31(6,7)42)26(37)33-19(4)29(40)43-23/h10-14,17-20,22-24,42H,15-16H2,1-9H3,(H,32,36)(H,33,37)/t18-,19+,20+,22-,23+,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH2:15][C@H:23]1[C:28](=[O:39])[N:35]([CH3:9])[C@H:22]([CH2:16][C:21]2=[CH:13][CH:11]=[CH:10][CH:12]=[CH:14]2)[C:25]([OH:36])=[N:32][C@H:18]([CH3:3])[C:27](=[O:38])[N:34]([CH3:8])[C@@H:20]([CH3:5])[C:30](=[O:41])[O:44][C@@H:24]([C:31]([CH3:6])([CH3:7])[OH:42])[C:26]([OH:37])=[N:33][C@@H:19]([CH3:4])[C:29](=[O:40])[O:43]1 |
|