(2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(3S)-1-brosylnipecotoyl]amino]-4-methyl-valeric acid Formula: C18H25BrN2O5S MolecularWeight: 461.3705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H25BrN2O5S/c1-12(2)10-16(18(23)24)20-17(22)13-4-3-9-21(11-13)27(25,26)15-7-5-14(19)6-8-15/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H,20,22)(H,23,24)/t13-,16-/m0/s1