5-azanyl-2-[[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-(phenylcarbonyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-(phenylcarbonyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[benzoyl-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[benzoyl-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[benzoyl-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[benzoyl-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]amino]-5-keto-valeric acid Formula: C17H24ClN3O7S MolecularWeight: 449.90636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCCl)N(C(CCC(=O)N)C(=O)O)C(=O)C1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)OCCN(CCCl)N(C(CCC(=O)N)C(=O)O)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H24ClN3O7S/c1-29(26,27)28-12-11-20(10-9-18)21(14(17(24)25)7-8-15(19)22)16(23)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,19,22)(H,24,25)