(2R)-3-[(4-bromanyl-1H-indol-2-yl)carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2R)-3-[(4-bromanyl-1H-indol-2-yl)carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2R)-2-(benzyloxycarbonylamino)-3-[(4-bromo-1H-indole-2-carbonyl)amino]propanoic acid CAS Name: (2R)-3-[[(4-bromo-1H-indol-2-yl)-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2R)-3-[(4-bromo-1H-indole-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-[(4-bromo-1H-indole-2-carbonyl)amino]propionic acid Formula: C20H18BrN3O5 MolecularWeight: 460.27802

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(N2)C=CC=C3Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H](CNC(=O)C2=CC3=C(N2)C=CC=C3Br)C(=O)O

InChI

InChI=1S/C20H18BrN3O5/c21-14-7-4-8-15-13(14)9-16(23-15)18(25)22-10-17(19(26)27)24-20(28)29-11-12-5-2-1-3-6-12/h1-9,17,23H,10-11H2,(H,22,25)(H,24,28)(H,26,27)/t17-/m1/s1