| Properties | Image |
|---|
| MNX_ID | MNXM744981 |
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| reference | biggM:valtrpval |
| formula | C21H30N4O4 |
| global charge | 0 |
| mol weight | 402.495 |
| InChIKey | KJFBXCFOPAKPTM-RCCFBDPRSA-N |
| InChI | InChI=1S/C21H30N4O4/c1-11(2)17(22)20(27)24-16(19(26)25-18(12(3)4)21(28)29)9-13-10-23-15-8-6-5-7-14(13)15/h5-8,10-12,16-18,23H,9,22H2,1-4H3,(H,24,27)(H,25,26)(H,28,29)/t16-,17+,18+/m0/s1 |
| SMILES | CC(C)[C@@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](C(=O)O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C21H30N4O4/c1-11(2)17(22)20(27)24-16(19(26)25-18(12(3)4)21(28)29)9-13-10-23-15-8-6-5-7-14(13)15/h5-8,10-12,16-18,23H,9,22H2,1-4H3,(H,24,27)(H,25,26)(H,28,29)/t16-,17+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[C@H:17]([C:20](=[N:24][C@@H:16]([CH2:9][C:13]1=[CH:10][NH:23][C:15]2=[CH:8][CH:6]=[CH:5][CH:7]=[C:14]12)[C:19](=[N:25][C@H:18]([CH:12]([CH3:3])[CH3:4])[C:21](=[O:28])[OH:29])[OH:26])[OH:27])[NH2:22] |
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