| Properties | Image |
| MNX_ID | MNXM89305 |
 |
| reference | chebi:10097 |
| formula | C28H39N5O8 |
| global charge | 0 |
| mol weight | 573.647 |
| InChIKey | DGRDYZZPQWDRBB-FKBYEOEOSA-N |
| InChI | InChI=1S/C28H39N5O8/c1-18(2)14-20(25(36)29-15-23(34)33-13-7-11-22(33)27(38)39)31-26(37)21-10-6-12-32(21)24(35)16-30-28(40)41-17-19-8-4-3-5-9-19/h3-5,8-9,18,20-22H,6-7,10-17H2,1-2H3,(H,29,36)(H,30,40)(H,31,37)(H,38,39)/t20-,21-,22-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCC1=CC=CC=C1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C28H39N5O8/c1-18(2)14-20(25(36)29-15-23(34)33-13-7-11-22(33)27(38)39)31-26(37)21-10-6-12-32(21)24(35)16-30-28(40)41-17-19-8-4-3-5-9-19/h3-5,8-9,18,20-22H,6-7,10-17H2,1-2H3,(H,29,36)(H,30,40)(H,31,37)(H,38,39)/t20-,21-,22-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[CH2:14][C@@H:20]([C:25](=[N:29][CH2:15][C:23]([N:33]1[CH2:13][CH2:7][CH2:11][C@H:22]1[C:27](=[O:38])[OH:39])=[O:34])[OH:36])[N:31]=[C:26]([C@@H:21]1[CH2:10][CH2:6][CH2:12][N:32]1[C:24]([CH2:16][N:30]=[C:28]([OH:40])[O:41][CH2:17][C:19]1=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]1)=[O:35])[OH:37] |
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