| Properties | Image |
| MNX_ID | MNXM1123012 |
 |
| reference | chebi:160410 |
| formula | C20H32N4O5 |
| global charge | 0 |
| mol weight | 408.499 |
| InChIKey | VVURYEVJJTXWNE-ULQDDVLXSA-N |
| InChI | InChI=1S/C20H32N4O5/c1-12(2)17(20(28)29)24-19(27)16(11-13-6-8-14(25)9-7-13)23-18(26)15(22)5-3-4-10-21/h6-9,12,15-17,25H,3-5,10-11,21-22H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)/t15-,16-,17-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32N4O5/c1-12(2)17(20(28)29)24-19(27)16(11-13-6-8-14(25)9-7-13)23-18(26)15(22)5-3-4-10-21/h6-9,12,15-17,25H,3-5,10-11,21-22H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)/t15-,16-,17-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[C@@H:17]([C:20](=[O:28])[OH:29])[N:24]=[C:19]([C@H:16]([CH2:11][C:13]1=[CH:7][CH:9]=[C:14]([OH:25])[CH:8]=[CH:6]1)[N:23]=[C:18]([C@H:15]([CH2:5][CH2:3][CH2:4][CH2:10][NH2:21])[NH2:22])[OH:26])[OH:27] |
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