(phenylmethyl) 2-[[3-(4-tert-butylphenyl)-2-[2-[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanoylamino]ethanoylamino]propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[3-(4-tert-butylphenyl)-2-[2-[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanoylamino]ethanoylamino]propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: benzyl 2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-tert-butylphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[3-(4-tert-butylphenyl)-2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(4-tert-butylphenyl)-2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-tert-butylphenyl)propanoyl]amino]-4-(methylthio)butyric acid benzyl ester Formula: C43H57N5O9S MolecularWeight: 820.00578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(C(=O)NC(CCSC)C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(C(=O)NC(CCSC)C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C43H57N5O9S/c1-42(2,3)31-17-13-28(14-18-31)24-35(39(53)47-33(21-22-58-7)40(54)56-27-30-11-9-8-10-12-30)46-37(51)26-44-36(50)25-45-38(52)34(48-41(55)57-43(4,5)6)23-29-15-19-32(49)20-16-29/h8-20,33-35,49H,21-27H2,1-7H3,(H,44,50)(H,45,52)(H,46,51)(H,47,53)(H,48,55)