| Properties | Image |
|---|
| MNX_ID | MNXM1127527 |
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| reference | chebi:164954 |
| formula | C19H29N7O6 |
| global charge | 0 |
| mol weight | 451.484 |
| InChIKey | AKFLVKKWVZMFOT-IHRRRGAJSA-N |
| InChI | InChI=1S/C19H29N7O6/c20-12(8-10-3-5-11(27)6-4-10)16(29)25-13(2-1-7-24-19(22)23)17(30)26-14(18(31)32)9-15(21)28/h3-6,12-14,27H,1-2,7-9,20H2,(H2,21,28)(H,25,29)(H,26,30)(H,31,32)(H4,22,23,24)/t12-,13-,14-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H29N7O6/c20-12(8-10-3-5-11(27)6-4-10)16(29)25-13(2-1-7-24-19(22)23)17(30)26-14(18(31)32)9-15(21)28/h3-6,12-14,27H,1-2,7-9,20H2,(H2,21,28)(H,25,29)(H,26,30)(H,31,32)(H4,22,23,24)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:13]([C:17](=[N:26][C@@H:14]([CH2:9][C:15](=[NH:21])[OH:28])[C:18](=[O:31])[OH:32])[OH:30])[N:25]=[C:16]([C@H:12]([CH2:8][C:10]1=[CH:4][CH:6]=[C:11]([OH:27])[CH:5]=[CH:3]1)[NH2:20])[OH:29])[CH2:7][NH:24][C:19](=[NH:22])[NH2:23] |
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