| Properties | Image |
|---|
| MNX_ID | MNXM105092 |
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| reference | chebi:69205 |
| formula | C29H53N5O8 |
| global charge | 0 |
| mol weight | 599.77 |
| InChIKey | GTUJBZDZEFIEQV-MRCGXDCXSA-N |
| InChI | InChI=1S/C29H53N5O8/c1-4-5-6-7-8-9-10-11-12-13-21(36)15-26(40)33-22(16-24(30)38)28(41)34-27(23(37)17-25(31)39)29(42)32-20(18-35)14-19(2)3/h18-23,27,36-37H,4-17H2,1-3H3,(H2,30,38)(H2,31,39)(H,32,42)(H,33,40)(H,34,41)/t20?,21-,22+,23-,27?/m1/s1 |
| SMILES | CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)NC(C(=O)NC(C=O)CC(C)C)[C@H](O)CC(N)=O |
MNX internals
| InChI (mnx) | InChI=1/C29H53N5O8/c1-4-5-6-7-8-9-10-11-12-13-21(36)15-26(40)33-22(16-24(30)38)28(41)34-27(23(37)17-25(31)39)29(42)32-20(18-35)14-19(2)3/h18-23,27,36-37H,4-17H2,1-3H3,(H2,30,38)(H2,31,39)(H,32,42)(H,33,40)(H,34,41)/t20?,21-,22+,23-,27?/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C@H:21]([CH2:15][C:26](=[N:33][C@@H:22]([CH2:16][C:24](=[NH:30])[OH:38])[C:28](=[N:34][CH:27]([C@@H:23]([CH2:17][C:25](=[NH:31])[OH:39])[OH:37])[C:29](=[N:32][CH:20]([CH2:14][CH:19]([CH3:2])[CH3:3])[CH:18]=[O:35])[OH:42])[OH:41])[OH:40])[OH:36] |
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