2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenylmethoxy-propanoic acid; 1,3-bis(bromanyl)propan-2-one

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenylmethoxy-propanoic acid; 1,3-bis(bromanyl)propan-2-one Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-3-benzyloxy-propanoic acid; 1,3-dibromopropan-2-one CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-phenylmethoxypropanoic acid; 1,3-dibromo-2-propanone IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylmethoxypropanoic acid; 1,3-dibromopropan-2-one Traditional Name: 3-benzoxy-2-(phenylalanylamino)propionic acid; 1,3-dibromoacetone Formula: C22H26Br2N2O5 MolecularWeight: 558.26024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(COCC2=CC=CC=C2)C(=O)O)N.C(C(=O)CBr)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(COCC2=CC=CC=C2)C(=O)O)N.C(C(=O)CBr)Br

InChI

InChI=1S/C19H22N2O4.C3H4Br2O/c20-16(11-14-7-3-1-4-8-14)18(22)21-17(19(23)24)13-25-12-15-9-5-2-6-10-15;4-1-3(6)2-5/h1-10,16-17H,11-13,20H2,(H,21,22)(H,23,24);1-2H2