| Properties | Image |
|---|
| MNX_ID | MNXM1124194 |
 |
| reference | chebi:161596 |
| formula | C19H28N4O5 |
| global charge | 0 |
| mol weight | 392.456 |
| InChIKey | WKTSCAXSYITIJJ-PCBIJLKTSA-N |
| InChI | InChI=1S/C19H28N4O5/c1-3-11(2)16(18(26)22-14(19(27)28)10-15(21)24)23-17(25)13(20)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)(H,27,28)/t11-,13-,14-,16-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H28N4O5/c1-3-11(2)16(18(26)22-14(19(27)28)10-15(21)24)23-17(25)13(20)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)(H,27,28)/t11-,13-,14-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:11]([CH3:2])[C@@H:16]([C:18](=[N:22][C@@H:14]([CH2:10][C:15](=[NH:21])[OH:24])[C:19](=[O:27])[OH:28])[OH:26])[N:23]=[C:17]([C@H:13]([CH2:9][C:12]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[NH2:20])[OH:25] |
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