| Properties | Image |
| MNX_ID | MNXM1122830 |
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| reference | chebi:160226 |
| formula | C16H22N4O7 |
| global charge | 0 |
| mol weight | 382.373 |
| InChIKey | DPWDPEVGACCWTC-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H22N4O7/c17-10(6-13(18)23)14(24)19-11(5-8-1-3-9(22)4-2-8)15(25)20-12(7-21)16(26)27/h1-4,10-12,21-22H,5-7,17H2,(H2,18,23)(H,19,24)(H,20,25)(H,26,27)/t10-,11-,12-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H22N4O7/c17-10(6-13(18)23)14(24)19-11(5-8-1-3-9(22)4-2-8)15(25)20-12(7-21)16(26)27/h1-4,10-12,21-22H,5-7,17H2,(H2,18,23)(H,19,24)(H,20,25)(H,26,27)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:22])=[CH:4][CH:2]=[C:8]1[CH2:5][C@@H:11]([C:15](=[N:20][C@@H:12]([CH2:7][OH:21])[C:16](=[O:26])[OH:27])[OH:25])[N:19]=[C:14]([C@H:10]([CH2:6][C:13](=[NH:18])[OH:23])[NH2:17])[OH:24] |
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