2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]hexanedioic acid

Systemtic Name: 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]hexanedioic acid Openeye Name: 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]hexanedioic acid CAS Name: 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxopropyl]amino]hexanedioic acid IUPAC Name: 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]hexanedioic acid Traditional Name: 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]adipic acid Formula: C21H29Cl2N3O6 MolecularWeight: 490.37746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)NC(CCCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)NC(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C21H29Cl2N3O6/c1-14(27)24-18(20(30)25-17(21(31)32)3-2-4-19(28)29)13-15-5-7-16(8-6-15)26(11-9-22)12-10-23/h5-8,17-18H,2-4,9-13H2,1H3,(H,24,27)(H,25,30)(H,28,29)(H,31,32)