6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoylamino]hexanoic acid

Systemtic Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoylamino]hexanoic acid Openeye Name: 6-(tert-butoxycarbonylamino)-2-[[2-[[2-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]acetyl]amino]hexanoic acid CAS Name: 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]acetyl]amino]hexanoic acid Traditional Name: 6-(tert-butoxycarbonylamino)-2-[[2-[[2-(tert-butoxycarbonylamino)-3-(tritylthio)propanoyl]amino]acetyl]amino]hexanoic acid Formula: C40H52N4O8S MolecularWeight: 748.92788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C40H52N4O8S/c1-38(2,3)51-36(49)41-25-17-16-24-31(35(47)48)43-33(45)26-42-34(46)32(44-37(50)52-39(4,5)6)27-53-40(28-18-10-7-11-19-28,29-20-12-8-13-21-29)30-22-14-9-15-23-30/h7-15,18-23,31-32H,16-17,24-27H2,1-6H3,(H,41,49)(H,42,46)(H,43,45)(H,44,50)(H,47,48)