sodium 2-[[3-(4-bromophenyl)-2-phosphono-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: sodium 2-[[3-(4-bromophenyl)-2-phosphono-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: sodium 2-[[3-(4-bromophenyl)-2-phosphono-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: sodium 2-[[3-(4-bromophenyl)-1-oxo-2-phosphonopropyl]amino]-4-methylpentanoic acid IUPAC Name: sodium 2-[[3-(4-bromophenyl)-2-phosphonopropanoyl]amino]-4-methylpentanoic acid Traditional Name: sodium 2-[[3-(4-bromophenyl)-2-phosphono-propanoyl]amino]-4-methyl-valeric acid Formula: C15H21BrNNaO6P+ MolecularWeight: 445.197871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)Br)P(=O)(O)O.[Na+]

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)Br)P(=O)(O)O.[Na+]

InChI

InChI=1S/C15H21BrNO6P.Na/c1-9(2)7-12(15(19)20)17-14(18)13(24(21,22)23)8-10-3-5-11(16)6-4-10;/h3-6,9,12-13H,7-8H2,1-2H3,(H,17,18)(H,19,20)(H2,21,22,23);/q;+1