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

Systemtic Name: 5-azanyl-2-[(4-ethynylphenyl)sulfonyl-phenethyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(4-ethynylphenyl)sulfonyl-phenethyl-amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[(4-ethynylphenyl)sulfonyl-phenethylamino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(4-ethynylphenyl)sulfonyl-phenethylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(4-ethynylphenyl)sulfonyl-phenethyl-amino]-5-keto-valeric acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)C(CCC(=O)N)C(=O)O

Isomeric SMILES

C#CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)C(CCC(=O)N)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c1-2-16-8-10-18(11-9-16)29(27,28)23(15-14-17-6-4-3-5-7-17)19(21(25)26)12-13-20(22)24/h1,3-11,19H,12-15H2,(H2,22,24)(H,25,26)