2-[(4-but-2-ynoxyphenyl)sulfonyl-oxidanyl-amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-oxidanyl-amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 5-(tert-butoxycarbonylamino)-2-[(4-but-2-ynoxyphenyl)sulfonyl-hydroxy-amino]pentanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-hydroxyamino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-hydroxyamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 5-(tert-butoxycarbonylamino)-2-[(4-but-2-ynoxyphenyl)sulfonyl-hydroxy-amino]valeric acid Formula: C20H28N2O8S MolecularWeight: 456.50992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O8S/c1-5-6-14-29-15-9-11-16(12-10-15)31(27,28)22(26)17(18(23)24)8-7-13-21-19(25)30-20(2,3)4/h9-12,17,26H,7-8,13-14H2,1-4H3,(H,21,25)(H,23,24)