| Properties | Image |
| MNX_ID | MNXM1121530 |
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| reference | chebi:158918 |
| formula | C16H31N7O5 |
| global charge | 0 |
| mol weight | 401.468 |
| InChIKey | LMPKCSXZJSXBBL-NHCYSSNCSA-N |
| InChI | InChI=1S/C16H31N7O5/c1-8(2)12(15(27)28)23-14(26)10(5-6-11(18)24)22-13(25)9(17)4-3-7-21-16(19)20/h8-10,12H,3-7,17H2,1-2H3,(H2,18,24)(H,22,25)(H,23,26)(H,27,28)(H4,19,20,21)/t9-,10-,12-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H31N7O5/c1-8(2)12(15(27)28)23-14(26)10(5-6-11(18)24)22-13(25)9(17)4-3-7-21-16(19)20/h8-10,12H,3-7,17H2,1-2H3,(H2,18,24)(H,22,25)(H,23,26)(H,27,28)(H4,19,20,21)/t9-,10-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[C@@H:12]([C:15](=[O:27])[OH:28])[N:23]=[C:14]([C@H:10]([CH2:5][CH2:6][C:11](=[NH:18])[OH:24])[N:22]=[C:13]([C@H:9]([CH2:4][CH2:3][CH2:7][NH:21][C:16](=[NH:19])[NH2:20])[NH2:17])[OH:25])[OH:26] |
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