5-bromanyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxidanylidene-2-(propanoylamino)pentanoic acid

Systemtic Name: 5-bromanyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxidanylidene-2-(propanoylamino)pentanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-bromo-4-oxo-2-(propanoylamino)pentanoic acid CAS Name: 5-bromo-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-4-oxo-2-(1-oxopropylamino)pentanoic acid IUPAC Name: 5-bromo-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxo-2-(propanoylamino)pentanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-bromo-4-keto-2-propionamido-valeric acid Formula: C21H28BrN3O7 MolecularWeight: 514.36692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC(=O)CBr)(C(=O)O)NC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(=O)NC(CC(=O)CBr)(C(=O)O)NC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H28BrN3O7/c1-4-16(27)24-21(19(29)30,10-15(26)11-22)25-18(28)17(13(2)3)23-20(31)32-12-14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3,(H,23,31)(H,24,27)(H,25,28)(H,29,30)