tert-butyl 6-azanyl-2-[(4-benzamidophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate

Systemtic Name: tert-butyl 6-azanyl-2-[(4-benzamidophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate Openeye Name: tert-butyl 6-amino-2-[(4-benzamidophenyl)sulfonyl-tert-butoxycarbonyl-amino]hexanoate CAS Name: 6-amino-2-[(4-benzamidophenyl)sulfonyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-2-[(4-benzamidophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate Traditional Name: 6-amino-2-[(4-benzamidophenyl)sulfonyl-tert-butoxycarbonyl-amino]hexanoic acid tert-butyl ester Formula: C28H39N3O7S MolecularWeight: 561.69016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCN)N(C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CCCCN)N(C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H39N3O7S/c1-27(2,3)37-25(33)23(14-10-11-19-29)31(26(34)38-28(4,5)6)39(35,36)22-17-15-21(16-18-22)30-24(32)20-12-8-7-9-13-20/h7-9,12-13,15-18,23H,10-11,14,19,29H2,1-6H3,(H,30,32)