| Properties | Image |
|---|
| MNX_ID | MNXM1122127 |
 |
| reference | chebi:159517 |
| formula | C16H32N10O5 |
| global charge | 0 |
| mol weight | 444.497 |
| InChIKey | GMRGSBAMMMVDGG-GUBZILKMSA-N |
| InChI | InChI=1S/C16H32N10O5/c17-8(7-11(18)27)12(28)25-9(3-1-5-23-15(19)20)13(29)26-10(14(30)31)4-2-6-24-16(21)22/h8-10H,1-7,17H2,(H2,18,27)(H,25,28)(H,26,29)(H,30,31)(H4,19,20,23)(H4,21,22,24)/t8-,9-,10-/m0/s1 |
| SMILES | NC(=O)C[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/C16H32N10O5/c17-8(7-11(18)27)12(28)25-9(3-1-5-23-15(19)20)13(29)26-10(14(30)31)4-2-6-24-16(21)22/h8-10H,1-7,17H2,(H2,18,27)(H,25,28)(H,26,29)(H,30,31)(H4,19,20,23)(H4,21,22,24)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:3][C@@H:9]([C:13](=[N:26][C@@H:10]([CH2:4][CH2:2][CH2:6][NH:24][C:16](=[NH:21])[NH2:22])[C:14](=[O:30])[OH:31])[OH:29])[N:25]=[C:12]([C@H:8]([CH2:7][C:11](=[NH:18])[OH:27])[NH2:17])[OH:28])[CH2:5][NH:23][C:15](=[NH:19])[NH2:20] |
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