| Properties | Image |
|---|
| MNX_ID | MNXM151718 |
 |
| reference | chebi:73013 |
| formula | C30H40N8O8 |
| global charge | 0 |
| mol weight | 640.698 |
| InChIKey | KLKHWFRYTZAAFL-UARRHKHWSA-N |
| InChI | InChI=1S/C30H40N8O8/c1-18(39)35-21(9-10-25(31)40)27(43)36-22(14-19-6-3-2-4-7-19)28(44)37-23(15-20-16-32-17-34-20)30(46)38-13-5-8-24(38)29(45)33-12-11-26(41)42/h2-4,6-7,16-17,21-24H,5,8-15H2,1H3,(H2,31,40)(H,32,34)(H,33,45)(H,35,39)(H,36,43)(H,37,44)(H,41,42)/t21-,22+,23-,24+/m0/s1 |
| SMILES | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@@H]1C(=O)NCCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C30H40N8O8/c1-18(39)35-21(9-10-25(31)40)27(43)36-22(14-19-6-3-2-4-7-19)28(44)37-23(15-20-16-32-17-34-20)30(46)38-13-5-8-24(38)29(45)33-12-11-26(41)42/h2-4,6-7,16-17,21-24H,5,8-15H2,1H3,(H2,31,40)(H,32,34)(H,33,45)(H,35,39)(H,36,43)(H,37,44)(H,41,42)/t21-,22+,23-,24+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18](=[N:35][C@@H:21]([CH2:9][CH2:10][C:25](=[NH:31])[OH:40])[C:27](=[N:36][C@H:22]([CH2:14][C:19]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1)[C:28](=[N:37][C@@H:23]([CH2:15][C:20]1=[CH:16][N:32]=[CH:17][NH:34]1)[C:30]([N:38]1[CH2:13][CH2:5][CH2:8][C@@H:24]1[C:29](=[N:33][CH2:12][CH2:11][C:26](=[O:41])[OH:42])[OH:45])=[O:46])[OH:44])[OH:43])[OH:39] |
|