| Properties | Image |
| MNX_ID | MNXM1122976 |
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| reference | chebi:160374 |
| formula | C18H28N4O5 |
| global charge | 0 |
| mol weight | 380.445 |
| InChIKey | SUZVLFWOCKHWET-CQDKDKBSSA-N |
| InChI | InChI=1S/C18H28N4O5/c1-11(18(26)27)21-17(25)15(10-12-5-7-13(23)8-6-12)22-16(24)14(20)4-2-3-9-19/h5-8,11,14-15,23H,2-4,9-10,19-20H2,1H3,(H,21,25)(H,22,24)(H,26,27)/t11-,14-,15-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H28N4O5/c1-11(18(26)27)21-17(25)15(10-12-5-7-13(23)8-6-12)22-16(24)14(20)4-2-3-9-19/h5-8,11,14-15,23H,2-4,9-10,19-20H2,1H3,(H,21,25)(H,22,24)(H,26,27)/t11-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:11]([C:18](=[O:26])[OH:27])[N:21]=[C:17]([C@H:15]([CH2:10][C:12]1=[CH:6][CH:8]=[C:13]([OH:23])[CH:7]=[CH:5]1)[N:22]=[C:16]([C@H:14]([CH2:4][CH2:2][CH2:3][CH2:9][NH2:19])[NH2:20])[OH:24])[OH:25] |
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