3-[(5-bromanylnaphthalen-2-yl)carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[(5-bromanylnaphthalen-2-yl)carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[(5-bromonaphthalene-2-carbonyl)amino]propanoic acid CAS Name: 3-[[(5-bromo-2-naphthalenyl)-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[(5-bromonaphthalene-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[(5-bromo-2-naphthoyl)amino]propionic acid Formula: C22H19BrN2O5 MolecularWeight: 471.30066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CNC(=O)C2=CC3=C(C=C2)C(=CC=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CNC(=O)C2=CC3=C(C=C2)C(=CC=C3)Br)C(=O)O

InChI

InChI=1S/C22H19BrN2O5/c23-18-8-4-7-15-11-16(9-10-17(15)18)20(26)24-12-19(21(27)28)25-22(29)30-13-14-5-2-1-3-6-14/h1-11,19H,12-13H2,(H,24,26)(H,25,29)(H,27,28)