2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]-5-oxidanylidene-5-phenylazanyl-pentanoic acid

Systemtic Name: 2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]-5-oxidanylidene-5-phenylazanyl-pentanoic acid Openeye Name: 5-anilino-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]-5-oxo-pentanoic acid CAS Name: 5-anilino-2-[[[4-[bis(2-chloroethyl)amino]phenoxy]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-anilino-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]-5-oxopentanoic acid Traditional Name: 5-anilino-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]-5-keto-valeric acid Formula: C22H25Cl2N3O5 MolecularWeight: 482.357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(C(=O)O)NC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(C(=O)O)NC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C22H25Cl2N3O5/c23-12-14-27(15-13-24)17-6-8-18(9-7-17)32-22(31)26-19(21(29)30)10-11-20(28)25-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,25,28)(H,26,31)(H,29,30)