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

Systemtic Name: (4S)-4-azanyl-5-[[4-[bis(2-bromoethyl)amino]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[4-[bis(2-bromoethyl)amino]anilino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[4-[bis(2-bromoethyl)amino]anilino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[4-[bis(2-bromoethyl)amino]anilino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[4-[bis(2-bromoethyl)amino]anilino]-5-keto-valeric acid Formula: C15H21Br2N3O3 MolecularWeight: 451.15354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CCC(=O)O)N)N(CCBr)CCBr

Isomeric SMILES

C1=CC(=CC=C1NC(=O)[C@H](CCC(=O)O)N)N(CCBr)CCBr

InChI

InChI=1S/C15H21Br2N3O3/c16-7-9-20(10-8-17)12-3-1-11(2-4-12)19-15(23)13(18)5-6-14(21)22/h1-4,13H,5-10,18H2,(H,19,23)(H,21,22)/t13-/m0/s1