| Properties | Image |
|---|
| MNX_ID | MNXM744843 |
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| reference | biggM:phethrlys |
| formula | C19H31N4O5 |
| global charge | 1 |
| mol weight | 395.48 |
| InChIKey | PTDAGKJHZBGDKD-MIGQKNRLSA-O |
| InChI | InChI=1S/C19H30N4O5/c1-12(24)16(18(26)22-15(19(27)28)9-5-6-10-20)23-17(25)14(21)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-16,24H,5-6,9-11,20-21H2,1H3,(H,22,26)(H,23,25)(H,27,28)/p+1/t12-,14-,15-,16+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCC[NH3+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H30N4O5/c1-12(24)16(18(26)22-15(19(27)28)9-5-6-10-20)23-17(25)14(21)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-16,24H,5-6,9-11,20-21H2,1H3,(H,22,26)(H,23,25)(H,27,28)/t12-,14-,15-,16+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:12]([C@@H:16]([C:18](=[N:22][C@H:15]([CH2:9][CH2:5][CH2:6][CH2:10][NH2:20])[C:19](=[O:27])[OH:28])[OH:26])[N:23]=[C:17]([C@@H:14]([CH2:11][C:13]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[NH2:21])[OH:25])[OH:24] |
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