| Properties | Image |
|---|
| MNX_ID | MNXM1124058 |
 |
| reference | chebi:161460 |
| formula | C23H28N4O5 |
| global charge | 0 |
| mol weight | 440.5 |
| InChIKey | GDBOREPXIRKSEQ-FHWLQOOXSA-N |
| InChI | InChI=1S/C23H28N4O5/c24-17(13-15-7-3-1-4-8-15)21(29)26-18(11-12-20(25)28)22(30)27-19(23(31)32)14-16-9-5-2-6-10-16/h1-10,17-19H,11-14,24H2,(H2,25,28)(H,26,29)(H,27,30)(H,31,32)/t17-,18-,19-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H28N4O5/c24-17(13-15-7-3-1-4-8-15)21(29)26-18(11-12-20(25)28)22(30)27-19(23(31)32)14-16-9-5-2-6-10-16/h1-10,17-19H,11-14,24H2,(H2,25,28)(H,26,29)(H,27,30)(H,31,32)/t17-,18-,19-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:15]([CH2:13][C@@H:17]([C:21](=[N:26][C@@H:18]([CH2:11][CH2:12][C:20](=[NH:25])[OH:28])[C:22](=[N:27][C@@H:19]([CH2:14][C:16]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)[C:23](=[O:31])[OH:32])[OH:30])[OH:29])[NH2:24])[CH:8]=[CH:4]1 |
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