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

Systemtic Name: 3-[(4-bromanyl-1-methyl-indol-2-yl)carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[(4-bromo-1-methyl-indole-2-carbonyl)amino]propanoic acid CAS Name: 3-[[(4-bromo-1-methyl-2-indolyl)-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[(4-bromo-1-methylindole-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[(4-bromo-1-methyl-indole-2-carbonyl)amino]propionic acid Formula: C21H20BrN3O5 MolecularWeight: 474.3046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C1C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3)C(=CC=C2)Br

Isomeric SMILES

CN1C2=C(C=C1C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3)C(=CC=C2)Br

InChI

InChI=1S/C21H20BrN3O5/c1-25-17-9-5-8-15(22)14(17)10-18(25)19(26)23-11-16(20(27)28)24-21(29)30-12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3,(H,23,26)(H,24,29)(H,27,28)