2-[[2-(2-bromanylethanoylamino)-4-methyl-pentanoyl]amino]-3-(4-prop-2-enoxyphenyl)propanoic acid

Systemtic Name: 2-[[2-(2-bromanylethanoylamino)-4-methyl-pentanoyl]amino]-3-(4-prop-2-enoxyphenyl)propanoic acid Openeye Name: 3-(4-allyloxyphenyl)-2-[[2-[(2-bromoacetyl)amino]-4-methyl-pentanoyl]amino]propanoic acid CAS Name: 2-[[2-[(2-bromo-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-3-(4-prop-2-enoxyphenyl)propanoic acid IUPAC Name: 2-[[2-[(2-bromoacetyl)amino]-4-methylpentanoyl]amino]-3-(4-prop-2-enoxyphenyl)propanoic acid Traditional Name: 3-(4-allyloxyphenyl)-2-[[2-[(2-bromoacetyl)amino]-4-methyl-pentanoyl]amino]propionic acid Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC=C)C(=O)O)NC(=O)CBr

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC=C)C(=O)O)NC(=O)CBr

InChI

InChI=1S/C20H27BrN2O5/c1-4-9-28-15-7-5-14(6-8-15)11-17(20(26)27)23-19(25)16(10-13(2)3)22-18(24)12-21/h4-8,13,16-17H,1,9-12H2,2-3H3,(H,22,24)(H,23,25)(H,26,27)