5-azanyl-2-[[4-[bis(2-bromanylpropyl)amino]-3,5-bis(fluoranyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[4-[bis(2-bromanylpropyl)amino]-3,5-bis(fluoranyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[4-[bis(2-bromopropyl)amino]-3,5-difluoro-benzoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[4-[bis(2-bromopropyl)amino]-3,5-difluorophenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[4-[bis(2-bromopropyl)amino]-3,5-difluorobenzoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[4-[bis(2-bromopropyl)amino]-3,5-difluoro-benzoyl]amino]-5-keto-valeric acid Formula: C18H23Br2F2N3O4 MolecularWeight: 543.197726

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC(C)Br)C1=C(C=C(C=C1F)C(=O)NC(CCC(=O)N)C(=O)O)F)Br

Isomeric SMILES

CC(CN(CC(C)Br)C1=C(C=C(C=C1F)C(=O)NC(CCC(=O)N)C(=O)O)F)Br

InChI

InChI=1S/C18H23Br2F2N3O4/c1-9(19)7-25(8-10(2)20)16-12(21)5-11(6-13(16)22)17(27)24-14(18(28)29)3-4-15(23)26/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H2,23,26)(H,24,27)(H,28,29)