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

Systemtic Name: tert-butyl 2-[[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-pentyl-amino]-2-(3-methylphenyl)ethanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-pentyl-amino]-2-(m-tolyl)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-pentylamino]-2-(3-methylphenyl)-1-oxoethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-pentylamino]-2-(3-methylphenyl)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[amyl-[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-(m-tolyl)acetyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C41H55N3O7 MolecularWeight: 701.8913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(C1=CC=CC(=C1)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

CCCCCN(C(C1=CC=CC(=C1)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/C41H55N3O7/c1-9-10-14-24-44(37(47)33(43-39(49)51-41(6,7)8)26-30-20-22-32(45)23-21-30)35(31-19-15-16-28(2)25-31)36(46)42-34(38(48)50-40(3,4)5)27-29-17-12-11-13-18-29/h11-13,15-23,25,33-35,45H,9-10,14,24,26-27H2,1-8H3,(H,42,46)(H,43,49)