| Properties | Image |
|---|
| MNX_ID | MNXM744980 |
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| reference | biggM:valtrpphe |
| formula | C25H30N4O4 |
| global charge | 0 |
| mol weight | 450.539 |
| InChIKey | LZRWTJSPTJSWDN-BHDDXSALSA-N |
| InChI | InChI=1S/C25H30N4O4/c1-15(2)22(26)24(31)28-20(13-17-14-27-19-11-7-6-10-18(17)19)23(30)29-21(25(32)33)12-16-8-4-3-5-9-16/h3-11,14-15,20-22,27H,12-13,26H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t20-,21+,22+/m0/s1 |
| SMILES | CC(C)[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/C25H30N4O4/c1-15(2)22(26)24(31)28-20(13-17-14-27-19-11-7-6-10-18(17)19)23(30)29-21(25(32)33)12-16-8-4-3-5-9-16/h3-11,14-15,20-22,27H,12-13,26H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t20-,21+,22+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[C@H:22]([C:24](=[N:28][C@@H:20]([CH2:13][C:17]1=[CH:14][NH:27][C:19]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:18]12)[C:23](=[N:29][C@H:21]([CH2:12][C:16]1=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]1)[C:25](=[O:32])[OH:33])[OH:30])[OH:31])[NH2:26] |
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