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

Systemtic Name: tert-butyl N-[1-[butan-2-yl-[2-oxidanylidene-2-(pentylamino)-1-phenyl-ethyl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-[[2-oxo-2-(pentylamino)-1-phenyl-ethyl]-sec-butyl-amino]ethyl]carbamate CAS Name: N-[1-[butan-2-yl-[2-oxo-2-(pentylamino)-1-phenylethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[butan-2-yl-[2-oxo-2-(pentylamino)-1-phenylethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[2-(amylamino)-2-keto-1-phenyl-ethyl]-sec-butyl-amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C31H45N3O5 MolecularWeight: 539.7061

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H45N3O5/c1-7-9-13-20-32-28(36)27(24-14-11-10-12-15-24)34(22(3)8-2)29(37)26(33-30(38)39-31(4,5)6)21-23-16-18-25(35)19-17-23/h10-12,14-19,22,26-27,35H,7-9,13,20-21H2,1-6H3,(H,32,36)(H,33,38)