| Properties | Image |
| MNX_ID | MNXM89303 |
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| reference | chebi:10094 |
| formula | C20H32N8O5 |
| global charge | 0 |
| mol weight | 464.527 |
| InChIKey | BIRZKUUPHCQOPK-GJZGRUSLSA-N |
| InChI | InChI=1S/C20H32N8O5/c21-18(22)25-10-4-8-14(28-20(32)33-12-13-6-2-1-3-7-13)16(29)27-15(17(30)31)9-5-11-26-19(23)24/h1-3,6-7,14-15H,4-5,8-12H2,(H,27,29)(H,28,32)(H,30,31)(H4,21,22,25)(H4,23,24,26)/t14-,15-/m0/s1 |
| SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32N8O5/c21-18(22)25-10-4-8-14(28-20(32)33-12-13-6-2-1-3-7-13)16(29)27-15(17(30)31)9-5-11-26-19(23)24/h1-3,6-7,14-15H,4-5,8-12H2,(H,27,29)(H,28,32)(H,30,31)(H4,21,22,25)(H4,23,24,26)/t14-,15-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:13]([CH2:12][O:33][C:20](=[N:28][C@@H:14]([CH2:8][CH2:4][CH2:10][NH:25][C:18](=[NH:21])[NH2:22])[C:16](=[N:27][C@@H:15]([CH2:9][CH2:5][CH2:11][NH:26][C:19](=[NH:23])[NH2:24])[C:17](=[O:30])[OH:31])[OH:29])[OH:32])[CH:7]=[CH:3]1 |
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