| Properties | Image |
|---|
| MNX_ID | MNXM1121528 |
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| reference | chebi:158916 |
| formula | C20H31N7O6 |
| global charge | 0 |
| mol weight | 465.511 |
| InChIKey | MTANSHNQTWPZKP-KKUMJFAQSA-N |
| InChI | InChI=1S/C20H31N7O6/c21-13(2-1-9-25-20(23)24)17(30)26-14(7-8-16(22)29)18(31)27-15(19(32)33)10-11-3-5-12(28)6-4-11/h3-6,13-15,28H,1-2,7-10,21H2,(H2,22,29)(H,26,30)(H,27,31)(H,32,33)(H4,23,24,25)/t13-,14-,15-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H31N7O6/c21-13(2-1-9-25-20(23)24)17(30)26-14(7-8-16(22)29)18(31)27-15(19(32)33)10-11-3-5-12(28)6-4-11/h3-6,13-15,28H,1-2,7-10,21H2,(H2,22,29)(H,26,30)(H,27,31)(H,32,33)(H4,23,24,25)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:13]([C:17](=[N:26][C@@H:14]([CH2:7][CH2:8][C:16](=[NH:22])[OH:29])[C:18](=[N:27][C@@H:15]([CH2:10][C:11]1=[CH:4][CH:6]=[C:12]([OH:28])[CH:5]=[CH:3]1)[C:19](=[O:32])[OH:33])[OH:31])[OH:30])[NH2:21])[CH2:9][NH:25][C:20](=[NH:23])[NH2:24] |
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