sodium (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]propanoate

Systemtic Name: sodium (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]propanoate Openeye Name: sodium (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]propanoate CAS Name: sodium (2S)-2-[[[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-oxomethyl]amino]propanoate IUPAC Name: sodium (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]propanoate Traditional Name: sodium (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]propionate Formula: C15H19Cl2N2NaO3 MolecularWeight: 369.21873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C(=O)[O-])N(CCCl)CCCl.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](C)C(=O)[O-])N(CCCl)CCCl.[Na+]

InChI

InChI=1S/C15H20Cl2N2O3.Na/c1-10-3-4-12(14(20)18-11(2)15(21)22)9-13(10)19(7-5-16)8-6-17;/h3-4,9,11H,5-8H2,1-2H3,(H,18,20)(H,21,22);/q;+1/p-1/t11-;/m0./s1