(2S,3S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(3S)-1-brosylnipecotoyl]amino]-3-methyl-valerate Formula: C18H24BrN2O5S- MolecularWeight: 460.36256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC[C@H](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/c1-3-12(2)16(18(23)24)20-17(22)13-5-4-10-21(11-13)27(25,26)15-8-6-14(19)7-9-15/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,22)(H,23,24)/p-1/t12-,13-,16-/m0/s1