| Properties | Image |
|---|
| MNX_ID | MNXM1121479 |
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| reference | chebi:158867 |
| formula | C21H33N3O5 |
| global charge | 0 |
| mol weight | 407.511 |
| InChIKey | REXAUQBGSGDEJY-IGISWZIWSA-N |
| InChI | InChI=1S/C21H33N3O5/c1-5-12(3)17(22)20(27)23-16(11-14-7-9-15(25)10-8-14)19(26)24-18(21(28)29)13(4)6-2/h7-10,12-13,16-18,25H,5-6,11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t12-,13-,16-,17-,18-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](C(=O)O)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C21H33N3O5/c1-5-12(3)17(22)20(27)23-16(11-14-7-9-15(25)10-8-14)19(26)24-18(21(28)29)13(4)6-2/h7-10,12-13,16-18,25H,5-6,11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t12-,13-,16-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:12]([CH3:3])[C@@H:17]([C:20](=[N:23][C@@H:16]([CH2:11][C:14]1=[CH:8][CH:10]=[C:15]([OH:25])[CH:9]=[CH:7]1)[C:19](=[N:24][C@@H:18]([C@@H:13]([CH3:4])[CH2:6][CH3:2])[C:21](=[O:28])[OH:29])[OH:26])[OH:27])[NH2:22] |
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