(2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(3S)-1-brosylnipecotoyl]amino]-3-phenyl-propionic acid Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H23BrN2O5S/c22-17-8-10-18(11-9-17)30(28,29)24-12-4-7-16(14-24)20(25)23-19(21(26)27)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,16,19H,4,7,12-14H2,(H,23,25)(H,26,27)/t16-,19-/m0/s1