5-azanyl-2-[bis(2-chloroethyl)amino]-2-[(3-methylphenyl)-phenoxycarbonyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[bis(2-chloroethyl)amino]-2-[(3-methylphenyl)-phenoxycarbonyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[bis(2-chloroethyl)amino]-2-(3-methyl-N-phenoxycarbonyl-anilino)-5-oxo-pentanoic acid CAS Name: 5-amino-2-[bis(2-chloroethyl)amino]-2-(3-methyl-N-[oxo(phenoxy)methyl]anilino)-5-oxopentanoic acid IUPAC Name: 5-amino-2-[bis(2-chloroethyl)amino]-2-(3-methyl-N-phenoxycarbonylanilino)-5-oxopentanoic acid Traditional Name: 5-amino-2-[bis(2-chloroethyl)amino]-2-(N-carbophenoxy-3-methyl-anilino)-5-keto-valeric acid Formula: C23H27Cl2N3O5 MolecularWeight: 496.38358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(=O)OC2=CC=CC=C2)C(CCC(=O)N)(C(=O)O)N(CCCl)CCCl

Isomeric SMILES

CC1=CC(=CC=C1)N(C(=O)OC2=CC=CC=C2)C(CCC(=O)N)(C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C23H27Cl2N3O5/c1-17-6-5-7-18(16-17)28(22(32)33-19-8-3-2-4-9-19)23(21(30)31,11-10-20(26)29)27(14-12-24)15-13-25/h2-9,16H,10-15H2,1H3,(H2,26,29)(H,30,31)