2-aminocarbonyl-4-[[[bis(2-chloroethyl)amino-phenyl-carbamoyl]oxy-phenyl-methyl]amino]pentanedioic acid

Systemtic Name: 2-aminocarbonyl-4-[[[bis(2-chloroethyl)amino-phenyl-carbamoyl]oxy-phenyl-methyl]amino]pentanedioic acid Openeye Name: 2-[[[bis(2-chloroethyl)amino-phenyl-carbamoyl]oxy-phenyl-methyl]amino]-4-carbamoyl-pentanedioic acid CAS Name: 2-[[[[N-[bis(2-chloroethyl)amino]anilino]-oxomethoxy]-phenylmethyl]amino]-4-carbamoylpentanedioic acid IUPAC Name: 2-[[[bis(2-chloroethyl)amino-phenylcarbamoyl]oxy-phenylmethyl]amino]-4-carbamoylpentanedioic acid Traditional Name: 2-[[[bis(2-chloroethyl)amino-phenyl-carbamoyl]oxy-phenyl-methyl]amino]-4-carbamoyl-glutaric acid Formula: C24H28Cl2N4O7 MolecularWeight: 555.40772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC(CC(C(=O)N)C(=O)O)C(=O)O)OC(=O)N(C2=CC=CC=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)C(NC(CC(C(=O)N)C(=O)O)C(=O)O)OC(=O)N(C2=CC=CC=C2)N(CCCl)CCCl

InChI

InChI=1S/C24H28Cl2N4O7/c25-11-13-29(14-12-26)30(17-9-5-2-6-10-17)24(36)37-21(16-7-3-1-4-8-16)28-19(23(34)35)15-18(20(27)31)22(32)33/h1-10,18-19,21,28H,11-15H2,(H2,27,31)(H,32,33)(H,34,35)