| Properties | Image |
| MNX_ID | MNXM1122151 |
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| reference | chebi:159541 |
| formula | C19H29N3O5 |
| global charge | 0 |
| mol weight | 379.457 |
| InChIKey | ODRREERHVHMIPT-OEAJRASXSA-N |
| InChI | InChI=1S/C19H29N3O5/c1-11(2)9-14(20)17(24)22-16(12(3)23)18(25)21-15(19(26)27)10-13-7-5-4-6-8-13/h4-8,11-12,14-16,23H,9-10,20H2,1-3H3,(H,21,25)(H,22,24)(H,26,27)/t12-,14+,15+,16+/m1/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C19H29N3O5/c1-11(2)9-14(20)17(24)22-16(12(3)23)18(25)21-15(19(26)27)10-13-7-5-4-6-8-13/h4-8,11-12,14-16,23H,9-10,20H2,1-3H3,(H,21,25)(H,22,24)(H,26,27)/t12-,14+,15+,16+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:9][C@@H:14]([C:17](=[N:22][C@@H:16]([C@@H:12]([CH3:3])[OH:23])[C:18](=[N:21][C@@H:15]([CH2:10][C:13]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[C:19](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:20] |
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