tert-butyl N-[1-[butan-2-yl-[1-(4-ethynylphenyl)-2-oxidanylidene-2-(pentylamino)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[butan-2-yl-[1-(4-ethynylphenyl)-2-oxidanylidene-2-(pentylamino)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[1-(4-ethynylphenyl)-2-oxo-2-(pentylamino)ethyl]-sec-butyl-amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[butan-2-yl-[1-(4-ethynylphenyl)-2-oxo-2-(pentylamino)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[butan-2-yl-[1-(4-ethynylphenyl)-2-oxo-2-(pentylamino)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[2-(amylamino)-1-(4-ethynylphenyl)-2-keto-ethyl]-sec-butyl-amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C33H45N3O5 MolecularWeight: 563.7275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C1=CC=C(C=C1)C#C)N(C(C)CC)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC(=O)C(C1=CC=C(C=C1)C#C)N(C(C)CC)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H45N3O5/c1-8-11-12-21-34-30(38)29(26-17-13-24(10-3)14-18-26)36(23(4)9-2)31(39)28(35-32(40)41-33(5,6)7)22-25-15-19-27(37)20-16-25/h3,13-20,23,28-29,37H,8-9,11-12,21-22H2,1-2,4-7H3,(H,34,38)(H,35,40)