(2S)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Openeye Name: (2S)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid CAS Name: (2S)-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Traditional Name: (2S)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid Formula: C22H27Cl2N3O3 MolecularWeight: 452.37408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27Cl2N3O3/c23-10-12-27(13-11-24)18-8-6-17(7-9-18)15-20(22(29)30)26-21(28)19(25)14-16-4-2-1-3-5-16/h1-9,19-20H,10-15,25H2,(H,26,28)(H,29,30)/t19-,20+/m1/s1