2-azanyl-6-[2-(2-azanylpropanoylamino)propanoylamino]-3-fluoranyl-heptanedioic acid

Systemtic Name: 2-azanyl-6-[2-(2-azanylpropanoylamino)propanoylamino]-3-fluoranyl-heptanedioic acid Openeye Name: 2-amino-6-[2-(2-aminopropanoylamino)propanoylamino]-3-fluoro-heptanedioic acid CAS Name: 2-amino-6-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-fluoroheptanedioic acid IUPAC Name: 2-amino-6-[2-(2-aminopropanoylamino)propanoylamino]-3-fluoroheptanedioic acid Traditional Name: 6-[2-(alanylamino)propanoylamino]-2-amino-3-fluoro-pimelic acid Formula: C13H23FN4O6 MolecularWeight: 350.343323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NC(CCC(C(C(=O)O)N)F)C(=O)O)N

Isomeric SMILES

CC(C(=O)NC(C)C(=O)NC(CCC(C(C(=O)O)N)F)C(=O)O)N

InChI

InChI=1S/C13H23FN4O6/c1-5(15)10(19)17-6(2)11(20)18-8(12(21)22)4-3-7(14)9(16)13(23)24/h5-9H,3-4,15-16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)