| Properties | Image |
| MNX_ID | MNXM1121333 |
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| reference | chebi:158721 |
| formula | C15H31N9O4 |
| global charge | 0 |
| mol weight | 401.472 |
| InChIKey | QEKBCDODJBBWHV-GUBZILKMSA-N |
| InChI | InChI=1S/C15H31N9O4/c1-8(13(27)28)23-12(26)10(5-3-7-22-15(19)20)24-11(25)9(16)4-2-6-21-14(17)18/h8-10H,2-7,16H2,1H3,(H,23,26)(H,24,25)(H,27,28)(H4,17,18,21)(H4,19,20,22)/t8-,9-,10-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H31N9O4/c1-8(13(27)28)23-12(26)10(5-3-7-22-15(19)20)24-11(25)9(16)4-2-6-21-14(17)18/h8-10H,2-7,16H2,1H3,(H,23,26)(H,24,25)(H,27,28)(H4,17,18,21)(H4,19,20,22)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:8]([C:13](=[O:27])[OH:28])[N:23]=[C:12]([C@H:10]([CH2:5][CH2:3][CH2:7][NH:22][C:15](=[NH:19])[NH2:20])[N:24]=[C:11]([C@H:9]([CH2:4][CH2:2][CH2:6][NH:21][C:14](=[NH:17])[NH2:18])[NH2:16])[OH:25])[OH:26] |
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