5-azanyl-2-[(4-ethynylphenyl)sulfonyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(4-ethynylphenyl)sulfonyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[benzyl-(4-ethynylphenyl)sulfonyl-amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[(4-ethynylphenyl)sulfonyl-(phenylmethyl)amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[benzyl-(4-ethynylphenyl)sulfonylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[benzyl-(4-ethynylphenyl)sulfonyl-amino]-5-keto-valeric acid Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CCC(=O)N)C(=O)O

Isomeric SMILES

C#CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CCC(=O)N)C(=O)O

InChI

InChI=1S/C20H20N2O5S/c1-2-15-8-10-17(11-9-15)28(26,27)22(14-16-6-4-3-5-7-16)18(20(24)25)12-13-19(21)23/h1,3-11,18H,12-14H2,(H2,21,23)(H,24,25)