| Properties | Image |
| MNX_ID | MNXM1124758 |
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| reference | chebi:162163 |
| formula | C16H22N4O5 |
| global charge | 0 |
| mol weight | 350.375 |
| InChIKey | VGTDBGYFVWOQTI-RYUDHWBXSA-N |
| InChI | InChI=1S/C16H22N4O5/c17-11(6-7-13(18)21)15(23)19-9-14(22)20-12(16(24)25)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,17H2,(H2,18,21)(H,19,23)(H,20,22)(H,24,25)/t11-,12-/m0/s1 |
| SMILES | NC(=O)CC[C@H](N)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H22N4O5/c17-11(6-7-13(18)21)15(23)19-9-14(22)20-12(16(24)25)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,17H2,(H2,18,21)(H,19,23)(H,20,22)(H,24,25)/t11-,12-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]([CH2:8][C@@H:12]([C:16](=[O:24])[OH:25])[N:20]=[C:14]([CH2:9][N:19]=[C:15]([C@H:11]([CH2:6][CH2:7][C:13](=[NH:18])[OH:21])[NH2:17])[OH:23])[OH:22])[CH:5]=[CH:3]1 |
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