(2S)-2-[[4-[[4-[bis(2-bromoethyl)amino]phenyl]carbamoyloxymethyl]phenoxy]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[[4-[bis(2-bromoethyl)amino]phenyl]carbamoyloxymethyl]phenoxy]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[[4-[bis(2-bromoethyl)amino]phenyl]carbamoyloxymethyl]phenoxy]carbonylamino]pentanedioic acid CAS Name: (2S)-2-[[[4-[[[4-[bis(2-bromoethyl)amino]anilino]-oxomethoxy]methyl]phenoxy]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[[4-[bis(2-bromoethyl)amino]phenyl]carbamoyloxymethyl]phenoxy]carbonylamino]pentanedioic acid Traditional Name: (2S)-2-[[4-[[4-[bis(2-bromoethyl)amino]phenyl]carbamoyloxymethyl]phenoxy]carbonylamino]glutaric acid Formula: C24H27Br2N3O8 MolecularWeight: 645.29448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NC2=CC=C(C=C2)N(CCBr)CCBr)OC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NC2=CC=C(C=C2)N(CCBr)CCBr)OC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H27Br2N3O8/c25-11-13-29(14-12-26)18-5-3-17(4-6-18)27-23(34)36-15-16-1-7-19(8-2-16)37-24(35)28-20(22(32)33)9-10-21(30)31/h1-8,20H,9-15H2,(H,27,34)(H,28,35)(H,30,31)(H,32,33)/t20-/m0/s1