2-[[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-cyclopentyl-amino]ethanoic acid

Systemtic Name: 2-[[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-cyclopentyl-amino]ethanoic acid Openeye Name: 2-[[(2S)-3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-cyclopentyl-amino]acetic acid CAS Name: 2-[[(2S)-3-(4-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-cyclopentylamino]acetic acid Traditional Name: 2-[[(2S)-3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-cyclopentyl-amino]acetic acid Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC(=O)O)C(=O)C(CC2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(C1)N(CC(=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/c28-17-20-11-9-19(10-12-20)15-25(27(33)30(18-26(31)32)23-7-3-4-8-23)29-36(34,35)24-14-13-21-5-1-2-6-22(21)16-24/h1-2,5-6,9-14,16,23,25,29H,3-4,7-8,15,18H2,(H,31,32)/t25-/m0/s1