| Properties | Image |
|---|
| MNX_ID | MNXM1126261 |
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| reference | chebi:163675 |
| formula | C19H30N6O5 |
| global charge | 0 |
| mol weight | 422.486 |
| InChIKey | UTSWGQNAQRIHAI-UNQGMJICSA-N |
| InChI | InChI=1S/C19H30N6O5/c1-11(26)15(20)17(28)24-13(8-5-9-23-19(21)22)16(27)25-14(18(29)30)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-15,26H,5,8-10,20H2,1H3,(H,24,28)(H,25,27)(H,29,30)(H4,21,22,23)/t11-,13+,14+,15+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H30N6O5/c1-11(26)15(20)17(28)24-13(8-5-9-23-19(21)22)16(27)25-14(18(29)30)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-15,26H,5,8-10,20H2,1H3,(H,24,28)(H,25,27)(H,29,30)(H4,21,22,23)/t11-,13+,14+,15+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:11]([C@@H:15]([C:17](=[N:24][C@@H:13]([CH2:8][CH2:5][CH2:9][NH:23][C:19](=[NH:21])[NH2:22])[C:16](=[N:25][C@@H:14]([CH2:10][C:12]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1)[C:18](=[O:29])[OH:30])[OH:27])[OH:28])[NH2:20])[OH:26] |
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