| Properties | Image |
|---|
| MNX_ID | MNXM1122032 |
 |
| reference | chebi:159421 |
| formula | C24H32N6O5 |
| global charge | 0 |
| mol weight | 484.557 |
| InChIKey | LFWOQHSQNCKXRU-UFYCRDLUSA-N |
| InChI | InChI=1S/C24H32N6O5/c25-18(7-4-12-28-24(26)27)21(32)29-19(13-16-8-10-17(31)11-9-16)22(33)30-20(23(34)35)14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-20,31H,4,7,12-14,25H2,(H,29,32)(H,30,33)(H,34,35)(H4,26,27,28)/t18-,19-,20-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H32N6O5/c25-18(7-4-12-28-24(26)27)21(32)29-19(13-16-8-10-17(31)11-9-16)22(33)30-20(23(34)35)14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-20,31H,4,7,12-14,25H2,(H,29,32)(H,30,33)(H,34,35)(H4,26,27,28)/t18-,19-,20-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:15]([CH2:14][C@@H:20]([C:23](=[O:34])[OH:35])[N:30]=[C:22]([C@H:19]([CH2:13][C:16]2=[CH:9][CH:11]=[C:17]([OH:31])[CH:10]=[CH:8]2)[N:29]=[C:21]([C@H:18]([CH2:7][CH2:4][CH2:12][NH:28][C:24](=[NH:26])[NH2:27])[NH2:25])[OH:32])[OH:33])[CH:6]=[CH:3]1 |
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