2-azanyl-3-[4-(2-azanyl-3-phenyl-propanoyl)-2,3-bis(2-chloroethylamino)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(2-azanyl-3-phenyl-propanoyl)-2,3-bis(2-chloroethylamino)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(2-amino-3-phenyl-propanoyl)-2,3-bis(2-chloroethylamino)phenyl]propanoic acid CAS Name: 2-amino-3-[4-(2-amino-1-oxo-3-phenylpropyl)-2,3-bis(2-chloroethylamino)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(2-amino-3-phenylpropanoyl)-2,3-bis(2-chloroethylamino)phenyl]propanoic acid Traditional Name: 2-amino-3-[2,3-bis(2-chloroethylamino)-4-phenylalanyl-phenyl]propionic acid Formula: C22H28Cl2N4O3 MolecularWeight: 467.38872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C2=C(C(=C(C=C2)CC(C(=O)O)N)NCCCl)NCCCl)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C2=C(C(=C(C=C2)CC(C(=O)O)N)NCCCl)NCCCl)N

InChI

InChI=1S/C22H28Cl2N4O3/c23-8-10-27-19-15(13-18(26)22(30)31)6-7-16(20(19)28-11-9-24)21(29)17(25)12-14-4-2-1-3-5-14/h1-7,17-18,27-28H,8-13,25-26H2,(H,30,31)