| Properties | Image |
|---|
| MNX_ID | MNXM127208 |
 |
| reference | keggD:D04660 |
| formula | C24H29ClN4O6 |
| global charge | 0 |
| mol weight | 504.971 |
| InChIKey | YUWYXULCUNUQCG-BDQAORGHSA-N |
| InChI | InChI=1S/C24H28N4O6.ClH/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31;/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31);1H/t20-;/m0./s1 |
| SMILES | Cl.N=C(N)C1=CC=C(C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N2CCC(OCC(=O)O)CC2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H28N4O6.ClH/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31;/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31);1H/t20-;/m0./s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:7][C:18]([OH:29])=[CH:8][CH:2]=[C:15]1[CH2:13][C@@H:20]([C:24]([N:28]1[CH2:11][CH2:9][CH:19]([O:34][CH2:14][C:21](=[O:30])[OH:31])[CH2:10][CH2:12]1)=[O:33])[NH:27][C:23]([C:17]1=[CH:6][CH:4]=[C:16]([C:22]([NH2:25])=[NH:26])[CH:3]=[CH:5]1)=[O:32].[ClH:35] |
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