| Properties | Image |
|---|
| MNX_ID | MNXM1124503 |
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| reference | chebi:161907 |
| formula | C26H33N7O4 |
| global charge | 0 |
| mol weight | 507.595 |
| InChIKey | KCIKTPHTEYBXMG-BVSLBCMMSA-N |
| InChI | InChI=1S/C26H33N7O4/c27-19(13-16-7-2-1-3-8-16)23(34)33-22(14-17-15-31-20-10-5-4-9-18(17)20)24(35)32-21(25(36)37)11-6-12-30-26(28)29/h1-5,7-10,15,19,21-22,31H,6,11-14,27H2,(H,32,35)(H,33,34)(H,36,37)(H4,28,29,30)/t19-,21-,22-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H33N7O4/c27-19(13-16-7-2-1-3-8-16)23(34)33-22(14-17-15-31-20-10-5-4-9-18(17)20)24(35)32-21(25(36)37)11-6-12-30-26(28)29/h1-5,7-10,15,19,21-22,31H,6,11-14,27H2,(H,32,35)(H,33,34)(H,36,37)(H4,28,29,30)/t19-,21-,22-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:16]([CH2:13][C@@H:19]([C:23](=[N:33][C@@H:22]([CH2:14][C:17]2=[CH:15][NH:31][C:20]3=[CH:10][CH:5]=[CH:4][CH:9]=[C:18]23)[C:24](=[N:32][C@@H:21]([CH2:11][CH2:6][CH2:12][NH:30][C:26](=[NH:28])[NH2:29])[C:25](=[O:36])[OH:37])[OH:35])[OH:34])[NH2:27])[CH:8]=[CH:3]1 |
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