| Properties | Image |
| MNX_ID | MNXM1122344 |
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| reference | chebi:159737 |
| formula | C16H33N7O5 |
| global charge | 0 |
| mol weight | 403.484 |
| InChIKey | SWWCDAGDQHTKIE-RHYQMDGZSA-N |
| InChI | InChI=1S/C16H33N7O5/c1-9(24)12(15(27)28)23-14(26)11(6-4-8-21-16(19)20)22-13(25)10(18)5-2-3-7-17/h9-12,24H,2-8,17-18H2,1H3,(H,22,25)(H,23,26)(H,27,28)(H4,19,20,21)/t9-,10+,11+,12+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H33N7O5/c1-9(24)12(15(27)28)23-14(26)11(6-4-8-21-16(19)20)22-13(25)10(18)5-2-3-7-17/h9-12,24H,2-8,17-18H2,1H3,(H,22,25)(H,23,26)(H,27,28)(H4,19,20,21)/t9-,10+,11+,12+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:9]([C@@H:12]([C:15](=[O:27])[OH:28])[N:23]=[C:14]([C@H:11]([CH2:6][CH2:4][CH2:8][NH:21][C:16](=[NH:19])[NH2:20])[N:22]=[C:13]([C@H:10]([CH2:5][CH2:2][CH2:3][CH2:7][NH2:17])[NH2:18])[OH:25])[OH:26])[OH:24] |
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