5-azanyl-2-[(4-ethynylphenyl)sulfonyl-(3-phenylpropyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(4-ethynylphenyl)sulfonyl-(3-phenylpropyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(4-ethynylphenyl)sulfonyl-(3-phenylpropyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[(4-ethynylphenyl)sulfonyl-(3-phenylpropyl)amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(4-ethynylphenyl)sulfonyl-(3-phenylpropyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(4-ethynylphenyl)sulfonyl-(3-phenylpropyl)amino]-5-keto-valeric acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=CC=CC=C2)C(CCC(=O)N)C(=O)O

Isomeric SMILES

C#CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=CC=CC=C2)C(CCC(=O)N)C(=O)O

InChI

InChI=1S/C22H24N2O5S/c1-2-17-10-12-19(13-11-17)30(28,29)24(20(22(26)27)14-15-21(23)25)16-6-9-18-7-4-3-5-8-18/h1,3-5,7-8,10-13,20H,6,9,14-16H2,(H2,23,25)(H,26,27)