(4S)-4-azanyl-5-[4-[bis(2-bromoethyl)amino]phenoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[4-[bis(2-bromoethyl)amino]phenoxy]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[4-[bis(2-bromoethyl)amino]phenoxy]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[4-[bis(2-bromoethyl)amino]phenoxy]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[4-[bis(2-bromoethyl)amino]phenoxy]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[4-[bis(2-bromoethyl)amino]phenoxy]-5-keto-valeric acid Formula: C15H20Br2N2O4 MolecularWeight: 452.1383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCBr)CCBr)OC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1N(CCBr)CCBr)OC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C15H20Br2N2O4/c16-7-9-19(10-8-17)11-1-3-12(4-2-11)23-15(22)13(18)5-6-14(20)21/h1-4,13H,5-10,18H2,(H,20,21)/t13-/m0/s1