2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 5-(tert-butoxycarbonylamino)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]pentanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 5-(tert-butoxycarbonylamino)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]valeric acid Formula: C20H28N2O7S MolecularWeight: 440.51052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C20H28N2O7S/c1-5-6-14-28-15-9-11-16(12-10-15)30(26,27)22-17(18(23)24)8-7-13-21-19(25)29-20(2,3)4/h9-12,17,22H,7-8,13-14H2,1-4H3,(H,21,25)(H,23,24)