ethyl 3-[[2-[butan-2-yl-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-ethynylphenyl)ethanoyl]amino]propanoate

Systemtic Name: ethyl 3-[[2-[butan-2-yl-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-ethynylphenyl)ethanoyl]amino]propanoate Openeye Name: ethyl 3-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-sec-butyl-amino]-2-(2-ethynylphenyl)acetyl]amino]propanoate CAS Name: 3-[[2-[butan-2-yl-[3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-2-(2-ethynylphenyl)-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[butan-2-yl-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-ethynylphenyl)acetyl]amino]propanoate Traditional Name: 3-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-sec-butyl-amino]-2-(2-ethynylphenyl)acetyl]amino]propionic acid ethyl ester Formula: C33H43N3O7 MolecularWeight: 593.71042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C1=CC=CC=C1C#C)C(=O)NCCC(=O)OCC)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)N(C(C1=CC=CC=C1C#C)C(=O)NCCC(=O)OCC)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H43N3O7/c1-8-22(4)36(29(26-14-12-11-13-24(26)9-2)30(39)34-20-19-28(38)42-10-3)31(40)27(35-32(41)43-33(5,6)7)21-23-15-17-25(37)18-16-23/h2,11-18,22,27,29,37H,8,10,19-21H2,1,3-7H3,(H,34,39)(H,35,41)