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

Systemtic Name: methyl 2-[[2-[butan-2-yl-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-ethynylphenyl)ethanoyl]amino]ethanoate Openeye Name: methyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-sec-butyl-amino]-2-(2-ethynylphenyl)acetyl]amino]acetate 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]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[butan-2-yl-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-ethynylphenyl)acetyl]amino]acetate Traditional Name: 2-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-sec-butyl-amino]-2-(2-ethynylphenyl)acetyl]amino]acetic acid methyl ester Formula: C31H39N3O7 MolecularWeight: 565.65726

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H39N3O7/c1-8-20(3)34(27(28(37)32-19-26(36)40-7)24-13-11-10-12-22(24)9-2)29(38)25(33-30(39)41-31(4,5)6)18-21-14-16-23(35)17-15-21/h2,10-17,20,25,27,35H,8,18-19H2,1,3-7H3,(H,32,37)(H,33,39)