| Properties | Image |
|---|
| MNX_ID | MNXM1121966 |
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| reference | chebi:159355 |
| formula | C21H34N4O4 |
| global charge | 0 |
| mol weight | 406.527 |
| InChIKey | QNTJIDXQHWUBKC-BZSNNMDCSA-N |
| InChI | InChI=1S/C21H34N4O4/c1-14(2)12-16(23)19(26)24-17(10-6-7-11-22)20(27)25-18(21(28)29)13-15-8-4-3-5-9-15/h3-5,8-9,14,16-18H,6-7,10-13,22-23H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/t16-,17-,18-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H34N4O4/c1-14(2)12-16(23)19(26)24-17(10-6-7-11-22)20(27)25-18(21(28)29)13-15-8-4-3-5-9-15/h3-5,8-9,14,16-18H,6-7,10-13,22-23H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/t16-,17-,18-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[CH2:12][C@@H:16]([C:19](=[N:24][C@@H:17]([CH2:10][CH2:6][CH2:7][CH2:11][NH2:22])[C:20](=[N:25][C@@H:18]([CH2:13][C:15]1=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]1)[C:21](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:23] |
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