6-(2-azanylethanoylamino)-2-(4-but-2-ynoxyphenyl)sulfonyl-hexanoic acid

Systemtic Name: 6-(2-azanylethanoylamino)-2-(4-but-2-ynoxyphenyl)sulfonyl-hexanoic acid Openeye Name: 6-[(2-aminoacetyl)amino]-2-(4-but-2-ynoxyphenyl)sulfonyl-hexanoic acid CAS Name: 6-[(2-amino-1-oxoethyl)amino]-2-(4-but-2-ynoxyphenyl)sulfonylhexanoic acid IUPAC Name: 6-[(2-aminoacetyl)amino]-2-(4-but-2-ynoxyphenyl)sulfonylhexanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-6-(glycylamino)hexanoic acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(CCCCNC(=O)CN)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(CCCCNC(=O)CN)C(=O)O

InChI

InChI=1S/C18H24N2O6S/c1-2-3-12-26-14-7-9-15(10-8-14)27(24,25)16(18(22)23)6-4-5-11-20-17(21)13-19/h7-10,16H,4-6,11-13,19H2,1H3,(H,20,21)(H,22,23)