| Properties | Image |
|---|
| MNX_ID | MNXM1122041 |
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| reference | chebi:159430 |
| formula | C24H32N6O6 |
| global charge | 0 |
| mol weight | 500.556 |
| InChIKey | CNBIWSCSSCAINS-UFYCRDLUSA-N |
| InChI | InChI=1S/C24H32N6O6/c25-18(2-1-11-28-24(26)27)21(33)29-19(12-14-3-7-16(31)8-4-14)22(34)30-20(23(35)36)13-15-5-9-17(32)10-6-15/h3-10,18-20,31-32H,1-2,11-13,25H2,(H,29,33)(H,30,34)(H,35,36)(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=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H32N6O6/c25-18(2-1-11-28-24(26)27)21(33)29-19(12-14-3-7-16(31)8-4-14)22(34)30-20(23(35)36)13-15-5-9-17(32)10-6-15/h3-10,18-20,31-32H,1-2,11-13,25H2,(H,29,33)(H,30,34)(H,35,36)(H4,26,27,28)/t18-,19-,20-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:18]([C:21](=[N:29][C@@H:19]([CH2:12][C:14]1=[CH:4][CH:8]=[C:16]([OH:31])[CH:7]=[CH:3]1)[C:22](=[N:30][C@@H:20]([CH2:13][C:15]1=[CH:6][CH:10]=[C:17]([OH:32])[CH:9]=[CH:5]1)[C:23](=[O:35])[OH:36])[OH:34])[OH:33])[NH2:25])[CH2:11][NH:28][C:24](=[NH:26])[NH2:27] |
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