| Properties | Image |
|---|
| MNX_ID | MNXM1124498 |
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| reference | chebi:161902 |
| formula | C17H34N10O5 |
| global charge | 0 |
| mol weight | 458.524 |
| InChIKey | KWUSGAIFNHQCBY-DCAQKATOSA-N |
| InChI | InChI=1S/C17H34N10O5/c18-9(5-6-12(19)28)13(29)26-10(3-1-7-24-16(20)21)14(30)27-11(15(31)32)4-2-8-25-17(22)23/h9-11H,1-8,18H2,(H2,19,28)(H,26,29)(H,27,30)(H,31,32)(H4,20,21,24)(H4,22,23,25)/t9-,10-,11-/m0/s1 |
| SMILES | NC(=O)CC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H34N10O5/c18-9(5-6-12(19)28)13(29)26-10(3-1-7-24-16(20)21)14(30)27-11(15(31)32)4-2-8-25-17(22)23/h9-11H,1-8,18H2,(H2,19,28)(H,26,29)(H,27,30)(H,31,32)(H4,20,21,24)(H4,22,23,25)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:3][C@@H:10]([C:14](=[N:27][C@@H:11]([CH2:4][CH2:2][CH2:8][NH:25][C:17](=[NH:22])[NH2:23])[C:15](=[O:31])[OH:32])[OH:30])[N:26]=[C:13]([C@H:9]([CH2:5][CH2:6][C:12](=[NH:19])[OH:28])[NH2:18])[OH:29])[CH2:7][NH:24][C:16](=[NH:20])[NH2:21] |
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