(2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]-3-phenyl-propionic acid Formula: C21H24Cl2N2O3 MolecularWeight: 423.33286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C21H24Cl2N2O3/c1-15-7-8-17(14-19(15)25(11-9-22)12-10-23)20(26)24-18(21(27)28)13-16-5-3-2-4-6-16/h2-8,14,18H,9-13H2,1H3,(H,24,26)(H,27,28)/t18-/m0/s1