| Properties | Image |
|---|
| MNX_ID | MNXM1123404 |
 |
| reference | chebi:160805 |
| formula | C19H27N3O6 |
| global charge | 0 |
| mol weight | 393.44 |
| InChIKey | PCJOFZYFFMBZKC-PCBIJLKTSA-N |
| InChI | InChI=1S/C19H27N3O6/c1-3-11(2)16(19(27)28)22-18(26)14(9-12-7-5-4-6-8-12)21-17(25)13(20)10-15(23)24/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t11-,13-,14-,16-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N3O6/c1-3-11(2)16(19(27)28)22-18(26)14(9-12-7-5-4-6-8-12)21-17(25)13(20)10-15(23)24/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t11-,13-,14-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:11]([CH3:2])[C@@H:16]([C:19](=[O:27])[OH:28])[N:22]=[C:18]([C@H:14]([CH2:9][C:12]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[N:21]=[C:17]([C@H:13]([CH2:10][C:15](=[O:23])[OH:24])[NH2:20])[OH:25])[OH:26] |
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