| Properties | Image |
|---|
| MNX_ID | MNXM1127541 |
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| reference | chebi:164968 |
| formula | C19H30N6O6 |
| global charge | 0 |
| mol weight | 438.485 |
| InChIKey | SGFIXFAHVWJKTD-KJEVXHAQSA-N |
| InChI | InChI=1S/C19H30N6O6/c1-10(26)15(18(30)31)25-17(29)14(3-2-8-23-19(21)22)24-16(28)13(20)9-11-4-6-12(27)7-5-11/h4-7,10,13-15,26-27H,2-3,8-9,20H2,1H3,(H,24,28)(H,25,29)(H,30,31)(H4,21,22,23)/t10-,13+,14+,15+/m1/s1 |
| SMILES | C[C@@H](O)[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/C19H30N6O6/c1-10(26)15(18(30)31)25-17(29)14(3-2-8-23-19(21)22)24-16(28)13(20)9-11-4-6-12(27)7-5-11/h4-7,10,13-15,26-27H,2-3,8-9,20H2,1H3,(H,24,28)(H,25,29)(H,30,31)(H4,21,22,23)/t10-,13+,14+,15+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:10]([C@@H:15]([C:18](=[O:30])[OH:31])[N:25]=[C:17]([C@H:14]([CH2:3][CH2:2][CH2:8][NH:23][C:19](=[NH:21])[NH2:22])[N:24]=[C:16]([C@H:13]([CH2:9][C:11]1=[CH:5][CH:7]=[C:12]([OH:27])[CH:6]=[CH:4]1)[NH2:20])[OH:28])[OH:29])[OH:26] |
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