| Properties | Image |
|---|
| MNX_ID | MNXM744726 |
 |
| reference | biggM:glylysphe |
| formula | C17H27N4O4 |
| global charge | 1 |
| mol weight | 351.427 |
| InChIKey | MHZXESQPPXOING-UONOGXRCSA-O |
| InChI | InChI=1S/C17H26N4O4/c18-9-5-4-8-13(20-15(22)11-19)16(23)21-14(17(24)25)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,18-19H2,(H,20,22)(H,21,23)(H,24,25)/p+1/t13-,14+/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H26N4O4/c18-9-5-4-8-13(20-15(22)11-19)16(23)21-14(17(24)25)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,18-19H2,(H,20,22)(H,21,23)(H,24,25)/t13-,14+/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:12]([CH2:10][C@H:14]([C:17](=[O:24])[OH:25])[N:21]=[C:16]([C@H:13]([CH2:8][CH2:4][CH2:5][CH2:9][NH2:18])[N:20]=[C:15]([CH2:11][NH2:19])[OH:22])[OH:23])[CH:7]=[CH:3]1 |
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