| Properties | Image |
|---|
| MNX_ID | MNXM1125341 |
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| reference | chebi:162753 |
| formula | C20H25N5O5 |
| global charge | 0 |
| mol weight | 415.45 |
| InChIKey | SHTKRJHDMNSKRM-ULQDDVLXSA-N |
| InChI | InChI=1S/C20H25N5O5/c26-14-5-3-12(4-6-14)8-16(24-18(27)15-2-1-7-22-15)19(28)25-17(20(29)30)9-13-10-21-11-23-13/h3-6,10-11,15-17,22,26H,1-2,7-9H2,(H,21,23)(H,24,27)(H,25,28)(H,29,30)/t15-,16-,17-/m0/s1 |
| SMILES | O=C(O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1 |
MNX internals
| InChI (mnx) | InChI=1/C20H25N5O5/c26-14-5-3-12(4-6-14)8-16(24-18(27)15-2-1-7-22-15)19(28)25-17(20(29)30)9-13-10-21-11-23-13/h3-6,10-11,15-17,22,26H,1-2,7-9H2,(H,21,23)(H,24,27)(H,25,28)(H,29,30)/t15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:15]([C:18](=[N:24][C@@H:16]([CH2:8][C:12]2=[CH:4][CH:6]=[C:14]([OH:26])[CH:5]=[CH:3]2)[C:19](=[N:25][C@@H:17]([CH2:9][C:13]2=[CH:10][N:21]=[CH:11][NH:23]2)[C:20](=[O:29])[OH:30])[OH:28])[OH:27])[NH:22][CH2:7]1 |
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