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

Systemtic Name: 5-azanyl-2-[[4-[bis(2-bromoethyl)amino]-3,5-bis(fluoranyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[4-[bis(2-bromoethyl)amino]-3,5-difluoro-benzoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[4-[bis(2-bromoethyl)amino]-3,5-difluorophenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[4-[bis(2-bromoethyl)amino]-3,5-difluorobenzoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[4-[bis(2-bromoethyl)amino]-3,5-difluoro-benzoyl]amino]-5-keto-valeric acid Formula: C16H19Br2F2N3O4 MolecularWeight: 515.144566

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)N(CCBr)CCBr)F)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1F)N(CCBr)CCBr)F)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C16H19Br2F2N3O4/c17-3-5-23(6-4-18)14-10(19)7-9(8-11(14)20)15(25)22-12(16(26)27)1-2-13(21)24/h7-8,12H,1-6H2,(H2,21,24)(H,22,25)(H,26,27)