2,5-bis[[2-azanyl-6-[(1-azanyl-2-fluoranyl-ethylidene)amino]hexanoyl]amino]pentanoic acid

Systemtic Name: 2,5-bis[[2-azanyl-6-[(1-azanyl-2-fluoranyl-ethylidene)amino]hexanoyl]amino]pentanoic acid Openeye Name: 2,5-bis[[2-amino-6-[(1-amino-2-fluoro-ethylidene)amino]hexanoyl]amino]pentanoic acid CAS Name: 2,5-bis[[2-amino-6-[(1-amino-2-fluoroethylidene)amino]-1-oxohexyl]amino]pentanoic acid IUPAC Name: 2,5-bis[[2-amino-6-[(1-amino-2-fluoroethylidene)amino]hexanoyl]amino]pentanoic acid Traditional Name: 2,5-bis[[2-amino-6-[(1-amino-2-fluoro-ethylidene)amino]hexanoyl]amino]valeric acid Formula: C21H40F2N8O4 MolecularWeight: 506.590306

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN=C(CF)N)CC(C(=O)NCCCC(C(=O)O)NC(=O)C(CCCCN=C(CF)N)N)N

Isomeric SMILES

C(CCN=C(CF)N)CC(C(=O)NCCCC(C(=O)O)NC(=O)C(CCCCN=C(CF)N)N)N

InChI

InChI=1S/C21H40F2N8O4/c22-12-17(26)28-9-3-1-6-14(24)19(32)30-11-5-8-16(21(34)35)31-20(33)15(25)7-2-4-10-29-18(27)13-23/h14-16H,1-13,24-25H2,(H2,26,28)(H2,27,29)(H,30,32)(H,31,33)(H,34,35)