2-[[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]cyclopentane-1-carboxylic acid

Systemtic Name: 2-[[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]cyclopentane-1-carboxylic acid Openeye Name: 2-[[(2S)-3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]cyclopentanecarboxylic acid CAS Name: 2-[[(2S)-3-(4-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-methylamino]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methylamino]cyclopentane-1-carboxylic acid Traditional Name: 2-[[(2S)-3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]cyclopentanecarboxylic acid Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCC1C(=O)O)C(=O)C(CC2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(C1CCCC1C(=O)O)C(=O)[C@H](CC2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H27N3O5S/c1-30(25-8-4-7-23(25)27(32)33)26(31)24(15-18-9-11-19(17-28)12-10-18)29-36(34,35)22-14-13-20-5-2-3-6-21(20)16-22/h2-3,5-6,9-14,16,23-25,29H,4,7-8,15H2,1H3,(H,32,33)/t23?,24-,25?/m0/s1