(2S)-2-azanyl-6-[[[bis(2-bromoethyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[[[bis(2-bromoethyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]hexanoic acid Openeye Name: (2S)-2-amino-6-[[[bis(2-bromoethyl)amino]-[(5-nitro-2-furyl)methoxy]phosphoryl]amino]hexanoic acid CAS Name: (2S)-2-amino-6-[[[bis(2-bromoethyl)amino]-[(5-nitro-2-furanyl)methoxy]phosphoryl]amino]hexanoic acid IUPAC Name: (2S)-2-amino-6-[[[bis(2-bromoethyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]hexanoic acid Traditional Name: (2S)-2-amino-6-[[[bis(2-bromoethyl)amino]-[(5-nitro-2-furyl)methoxy]phosphoryl]amino]hexanoic acid Formula: C15H25Br2N4O7P MolecularWeight: 564.163361

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)[N+](=O)[O-])COP(=O)(NCCCCC(C(=O)O)N)N(CCBr)CCBr

Isomeric SMILES

C1=C(OC(=C1)[N+](=O)[O-])COP(=O)(NCCCC[C@@H](C(=O)O)N)N(CCBr)CCBr

InChI

InChI=1S/C15H25Br2N4O7P/c16-6-9-20(10-7-17)29(26,19-8-2-1-3-13(18)15(22)23)27-11-12-4-5-14(28-12)21(24)25/h4-5,13H,1-3,6-11,18H2,(H,19,26)(H,22,23)/t13-,29?/m0/s1