| Properties | Image |
|---|
| MNX_ID | MNXM744761 |
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| reference | biggM:iletrptyr |
| formula | C26H32N4O5 |
| global charge | 0 |
| mol weight | 480.565 |
| InChIKey | MITYXXNZSZLHGG-HCZSUOBMSA-N |
| InChI | InChI=1S/C26H32N4O5/c1-3-15(2)23(27)25(33)29-21(13-17-14-28-20-7-5-4-6-19(17)20)24(32)30-22(26(34)35)12-16-8-10-18(31)11-9-16/h4-11,14-15,21-23,28,31H,3,12-13,27H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)/t15?,21-,22+,23+/m0/s1 |
| SMILES | CCC(C)[C@@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H32N4O5/c1-3-15(2)23(27)25(33)29-21(13-17-14-28-20-7-5-4-6-19(17)20)24(32)30-22(26(34)35)12-16-8-10-18(31)11-9-16/h4-11,14-15,21-23,28,31H,3,12-13,27H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)/t15?,21-,22+,23+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH:15]([CH3:2])[C@H:23]([C:25](=[N:29][C@@H:21]([CH2:13][C:17]1=[CH:14][NH:28][C:20]2=[CH:7][CH:5]=[CH:4][CH:6]=[C:19]12)[C:24](=[N:30][C@H:22]([CH2:12][C:16]1=[CH:9][CH:11]=[C:18]([OH:31])[CH:10]=[CH:8]1)[C:26](=[O:34])[OH:35])[OH:32])[OH:33])[NH2:27] |
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