| Properties | Image |
|---|
| MNX_ID | MNXM1122962 |
 |
| reference | chebi:160360 |
| formula | C26H33N5O4 |
| global charge | 0 |
| mol weight | 479.581 |
| InChIKey | KDBDVESGGJYVEH-PMVMPFDFSA-N |
| InChI | InChI=1S/C26H33N5O4/c27-13-7-6-11-20(28)24(32)30-22(15-18-16-29-21-12-5-4-10-19(18)21)25(33)31-23(26(34)35)14-17-8-2-1-3-9-17/h1-5,8-10,12,16,20,22-23,29H,6-7,11,13-15,27-28H2,(H,30,32)(H,31,33)(H,34,35)/t20-,22-,23-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H33N5O4/c27-13-7-6-11-20(28)24(32)30-22(15-18-16-29-21-12-5-4-10-19(18)21)25(33)31-23(26(34)35)14-17-8-2-1-3-9-17/h1-5,8-10,12,16,20,22-23,29H,6-7,11,13-15,27-28H2,(H,30,32)(H,31,33)(H,34,35)/t20-,22-,23-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:8]=[C:17]([CH2:14][C@@H:23]([C:26](=[O:34])[OH:35])[N:31]=[C:25]([C@H:22]([CH2:15][C:18]2=[CH:16][NH:29][C:21]3=[CH:12][CH:5]=[CH:4][CH:10]=[C:19]23)[N:30]=[C:24]([C@H:20]([CH2:11][CH2:6][CH2:7][CH2:13][NH2:27])[NH2:28])[OH:32])[OH:33])[CH:9]=[CH:3]1 |
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