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

Systemtic Name: tert-butyl 2-[[2-[butan-2-yl-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-ethynylphenyl)ethanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-sec-butyl-amino]-2-(2-ethynylphenyl)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[butan-2-yl-[3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-2-(2-ethynylphenyl)-1-oxoethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[butan-2-yl-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-ethynylphenyl)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-sec-butyl-amino]-2-(2-ethynylphenyl)acetyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C41H51N3O7 MolecularWeight: 697.85954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C1=CC=CC=C1C#C)C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)C(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)N(C(C1=CC=CC=C1C#C)C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)C(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C41H51N3O7/c1-10-27(3)44(37(47)33(43-39(49)51-41(7,8)9)25-29-21-23-31(45)24-22-29)35(32-20-16-15-19-30(32)11-2)36(46)42-34(38(48)50-40(4,5)6)26-28-17-13-12-14-18-28/h2,12-24,27,33-35,45H,10,25-26H2,1,3-9H3,(H,42,46)(H,43,49)