| Properties | Image |
|---|
| MNX_ID | MNXM1121216 |
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| reference | chebi:158603 |
| formula | C18H28N6O5 |
| global charge | 0 |
| mol weight | 408.459 |
| InChIKey | MTDDMSUUXNQMKK-BPNCWPANSA-N |
| InChI | InChI=1S/C18H28N6O5/c1-10(19)15(26)24-14(9-11-4-6-12(25)7-5-11)16(27)23-13(17(28)29)3-2-8-22-18(20)21/h4-7,10,13-14,25H,2-3,8-9,19H2,1H3,(H,23,27)(H,24,26)(H,28,29)(H4,20,21,22)/t10-,13-,14-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H28N6O5/c1-10(19)15(26)24-14(9-11-4-6-12(25)7-5-11)16(27)23-13(17(28)29)3-2-8-22-18(20)21/h4-7,10,13-14,25H,2-3,8-9,19H2,1H3,(H,23,27)(H,24,26)(H,28,29)(H4,20,21,22)/t10-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:10]([C:15](=[N:24][C@@H:14]([CH2:9][C:11]1=[CH:5][CH:7]=[C:12]([OH:25])[CH:6]=[CH:4]1)[C:16](=[N:23][C@@H:13]([CH2:3][CH2:2][CH2:8][NH:22][C:18](=[NH:20])[NH2:21])[C:17](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:19] |
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